[2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine

C102H103F2N23O8S2 — CID 167667517

IUPAC[2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine
SMILESCc1ncc(-c2cc(N3CCOCC3)cc(S(=O)(=O)c3ccccc3)n2)cn1.Cc1ncc(-c2cc(N3CCOCC3)nc(S(=O)(=O)c3ccccc3)c2)cn1.Nc1ncc(-c2cc(C(=O)c3ccccc3)cc(N3CCCCC3)n2)cn1.Nc1ncc(-c2cc(C(F)(F)c3ccccc3)cc(N3CCCCC3)n2)cn1.Nc1ncc(-c2cc(Oc3ccccc3)cc(N3CCCCC3)n2)cn1
InChIInChI=1S/C21H21F2N5.C21H21N5O.C20H21N5O.2C20H20N4O3S/c22-21(23,16-7-3-1-4-8-16)17-11-18(15-13-25-20(24)26-14-15)27-19(12-17)28-9-5-2-6-10-28;22-21-23-13-17(14-24-21)18-11-16(20(27)15-7-3-1-4-8-15)12-19(25-18)26-9-5-2-6-10-26;21-20-22-13-15(14-23-20)18-11-17(26-16-7-3-1-4-8-16)12-19(24-18)25-9-5-2-6-10-25;1-15-21-13-16(14-22-15)19-11-17(24-7-9-27-10-8-24)12-20(23-19)28(25,26)18-5-3-2-4-6-18;1-15-21-13-17(14-22-15)16-11-19(24-7-9-27-10-8-24)23-20(12-16)28(25,26)18-5-3-2-4-6-18/h1,3-4,7-8,11-14H,2,5-6,9-10H2,(H2,24,25,26);1,3-4,7-8,11-14H,2,5-6,9-10H2,(H2,22,23,24);1,3-4,7-8,11-14H,2,5-6,9-10H2,(H2,21,22,23);2*2-6,11-14H,7-10H2,1H3
InChIKeySVWRNGQEXBJQHN-UHFFFAOYSA-N
MW1881.23 g/mol
LogP16.53
Rot. Bonds20

About [2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine

[2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 167667517) has the molecular formula C102H103F2N23O8S2 and a molecular weight of 1881.23 g/mol. Its IUPAC name is [2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name[2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine
PubChem CID167667517
Molecular FormulaC102H103F2N23O8S2
Molecular Weight1881.23 g/mol
Exact Mass1879.78
IUPAC Name[2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine
SMILESCc1ncc(-c2cc(N3CCOCC3)cc(S(=O)(=O)c3ccccc3)n2)cn1.Cc1ncc(-c2cc(N3CCOCC3)nc(S(=O)(=O)c3ccccc3)c2)cn1.Nc1ncc(-c2cc(C(=O)c3ccccc3)cc(N3CCCCC3)n2)cn1.Nc1ncc(-c2cc(C(F)(F)c3ccccc3)cc(N3CCCCC3)n2)cn1.Nc1ncc(-c2cc(Oc3ccccc3)cc(N3CCCCC3)n2)cn1
InChIInChI=1S/C21H21F2N5.C21H21N5O.C20H21N5O.2C20H20N4O3S/c22-21(23,16-7-3-1-4-8-16)17-11-18(15-13-25-20(24)26-14-15)27-19(12-17)28-9-5-2-6-10-28;22-21-23-13-17(14-24-21)18-11-16(20(27)15-7-3-1-4-8-15)12-19(25-18)26-9-5-2-6-10-26;21-20-22-13-15(14-23-20)18-11-17(26-16-7-3-1-4-8-16)12-19(24-18)25-9-5-2-6-10-25;1-15-21-13-16(14-22-15)19-11-17(24-7-9-27-10-8-24)12-20(23-19)28(25,26)18-5-3-2-4-6-18;1-15-21-13-17(14-22-15)16-11-19(24-7-9-27-10-8-24)23-20(12-16)28(25,26)18-5-3-2-4-6-18/h1,3-4,7-8,11-14H,2,5-6,9-10H2,(H2,24,25,26);1,3-4,7-8,11-14H,2,5-6,9-10H2,(H2,22,23,24);1,3-4,7-8,11-14H,2,5-6,9-10H2,(H2,21,22,23);2*2-6,11-14H,7-10H2,1H3
InChIKeySVWRNGQEXBJQHN-UHFFFAOYSA-N
XLogP16.53
TPSA400.65 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms137
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001881.23
LogP ≤ 516.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Analyze [2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of [2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine (CID 167667517) is [2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for [2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for [2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine is Cc1ncc(-c2cc(N3CCOCC3)cc(S(=O)(=O)c3ccccc3)n2)cn1.Cc1ncc(-c2cc(N3CCOCC3)nc(S(=O)(=O)c3ccccc3)c2)cn1.Nc1ncc(-c2cc(C(=O)c3ccccc3)cc(N3CCCCC3)n2)cn1.Nc1ncc(-c2cc(C(F)(F)c3ccccc3)cc(N3CCCCC3)n2)cn1.Nc1ncc(-c2cc(Oc3ccccc3)cc(N3CCCCC3)n2)cn1.
What is the InChIKey of [2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is SVWRNGQEXBJQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5.C21H21N5O.C20H21N5O.2C20H20N4O3S/c22-21(23,16-7-3-1-4-8-16)17-11-18(15-13-25-20(24)26-14-15)27-19(12-17)28-9-5-2-6-10-28;22-21-23-13-17(14-24-21)18-11-16(20(27)15-7-3-1-4-8-15)12-19(25-18)26-9-5-2-6-10-26;21-20-22-13-15(14-23-20)18-11-17(26-16-7-3-1-4-8-16)12-19(24-18)25-9-5-2-6-10-25;1-15-21-13-16(14-22-15)19-11-17(24-7-9-27-10-8-24)12-20(23-19)28(25,26)18-5-3-2-4-6-18;1-15-21-13-17(14-22-15)16-11-19(24-7-9-27-10-8-24)23-20(12-16)28(25,26)18-5-3-2-4-6-18/h1,3-4,7-8,11-14H,2,5-6,9-10H2,(H2,24,25,26);1,3-4,7-8,11-14H,2,5-6,9-10H2,(H2,22,23,24);1,3-4,7-8,11-14H,2,5-6,9-10H2,(H2,21,22,23);2*2-6,11-14H,7-10H2,1H3.
What are the key properties of [2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine?
[2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 1881.23 g/mol, XLogP of 16.53, 20 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminopyrimidin-5-yl)-6-piperidin-1-yl-4-pyridinyl]-phenylmethanone;4-[2-(benzenesulfonyl)-6-(2-methylpyrimidin-5-yl)-4-pyridinyl]morpholine;4-[6-(benzenesulfonyl)-4-(2-methylpyrimidin-5-yl)-2-pyridinyl]morpholine;5-[4-[difluoro(phenyl)methyl]-6-piperidin-1-yl-2-pyridinyl]pyrimidin-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 167667517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).