4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine

C20H23N5O2 — CID 126433878

IUPAC4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
SMILESNc1nc([C@@H]2CCOC2)cc(N2CCC(c3nc4ccccc4o3)CC2)n1
InChIInChI=1S/C20H23N5O2/c21-20-23-16(14-7-10-26-12-14)11-18(24-20)25-8-5-13(6-9-25)19-22-15-3-1-2-4-17(15)27-19/h1-4,11,13-14H,5-10,12H2,(H2,21,23,24)/t14-/m1/s1
InChIKeyUVFWAMLUJULRSV-CQSZACIVSA-N
MW365.44 g/mol
LogP3.09
Rot. Bonds3

About 4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine

4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine (PubChem CID 126433878) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
PubChem CID126433878
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
SMILESNc1nc([C@@H]2CCOC2)cc(N2CCC(c3nc4ccccc4o3)CC2)n1
InChIInChI=1S/C20H23N5O2/c21-20-23-16(14-7-10-26-12-14)11-18(24-20)25-8-5-13(6-9-25)19-22-15-3-1-2-4-17(15)27-19/h1-4,11,13-14H,5-10,12H2,(H2,21,23,24)/t14-/m1/s1
InChIKeyUVFWAMLUJULRSV-CQSZACIVSA-N
XLogP3.09
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine with MolForge

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Related Compounds

4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
CID 119059512
3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol
CID 126447690
[1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 126430167
4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine
CID 118780899
4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 66741197
4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126436493
4-[(3S)-oxolan-3-yl]-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-2-amine
CID 126430353
4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
CID 119061021
6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126428881
6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide
CID 17421706
2-[1-(2-nitrophenyl)piperidin-4-yl]-1,3-benzoxazole
CID 33089272
[1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine
CID 119065215

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine (CID 126433878) is 4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine is Nc1nc([C@@H]2CCOC2)cc(N2CCC(c3nc4ccccc4o3)CC2)n1.
What is the InChIKey of 4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine?
The InChIKey is UVFWAMLUJULRSV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N5O2/c21-20-23-16(14-7-10-26-12-14)11-18(24-20)25-8-5-13(6-9-25)19-22-15-3-1-2-4-17(15)27-19/h1-4,11,13-14H,5-10,12H2,(H2,21,23,24)/t14-/m1/s1.
What are the key properties of 4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine?
4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine has a molecular weight of 365.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 126433878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).