5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine

C79H91N29O3 — CID 157188337

IUPAC5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCOc1cccc(-c2cccc(N3CCN(c4cnc(N)nc4N)CC3)c2)c1.COc1ncc(-c2cccc(N3CCN(c4cnc(N)nc4N)CC3)c2)cn1.COc1ncccc1-c1cccc(N2CCN(c3cnc(N)nc3N)CC2)c1.Cc1ncc(-c2cccc(N3CCN(c4cnc(N)nc4N)CC3)c2)cn1
InChIInChI=1S/C21H24N6O.C20H23N7O.C19H22N8O.C19H22N8/c1-28-18-7-3-5-16(13-18)15-4-2-6-17(12-15)26-8-10-27(11-9-26)19-14-24-21(23)25-20(19)22;1-28-19-16(6-3-7-23-19)14-4-2-5-15(12-14)26-8-10-27(11-9-26)17-13-24-20(22)25-18(17)21;1-28-19-23-10-14(11-24-19)13-3-2-4-15(9-13)26-5-7-27(8-6-26)16-12-22-18(21)25-17(16)20;1-13-22-10-15(11-23-13)14-3-2-4-16(9-14)26-5-7-27(8-6-26)17-12-24-19(21)25-18(17)20/h2-7,12-14H,8-11H2,1H3,(H4,22,23,24,25);2-7,12-13H,8-11H2,1H3,(H4,21,22,24,25);2-4,9-12H,5-8H2,1H3,(H4,20,21,22,25);2-4,9-12H,5-8H2,1H3,(H4,20,21,24,25)
InChIKeyAPJVKCHQENAJMK-UHFFFAOYSA-N
MW1494.80 g/mol
LogP7.85
Rot. Bonds15

About 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine

5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 157188337) has the molecular formula C79H91N29O3 and a molecular weight of 1494.80 g/mol. Its IUPAC name is 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID157188337
Molecular FormulaC79H91N29O3
Molecular Weight1494.80 g/mol
Exact Mass1493.79
IUPAC Name5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCOc1cccc(-c2cccc(N3CCN(c4cnc(N)nc4N)CC3)c2)c1.COc1ncc(-c2cccc(N3CCN(c4cnc(N)nc4N)CC3)c2)cn1.COc1ncccc1-c1cccc(N2CCN(c3cnc(N)nc3N)CC2)c1.Cc1ncc(-c2cccc(N3CCN(c4cnc(N)nc4N)CC3)c2)cn1
InChIInChI=1S/C21H24N6O.C20H23N7O.C19H22N8O.C19H22N8/c1-28-18-7-3-5-16(13-18)15-4-2-6-17(12-15)26-8-10-27(11-9-26)19-14-24-21(23)25-20(19)22;1-28-19-16(6-3-7-23-19)14-4-2-5-15(12-14)26-8-10-27(11-9-26)17-13-24-20(22)25-18(17)21;1-28-19-23-10-14(11-24-19)13-3-2-4-15(9-13)26-5-7-27(8-6-26)16-12-22-18(21)25-17(16)20;1-13-22-10-15(11-23-13)14-3-2-4-16(9-14)26-5-7-27(8-6-26)17-12-24-19(21)25-18(17)20/h2-7,12-14H,8-11H2,1H3,(H4,22,23,24,25);2-7,12-13H,8-11H2,1H3,(H4,21,22,24,25);2-4,9-12H,5-8H2,1H3,(H4,20,21,22,25);2-4,9-12H,5-8H2,1H3,(H4,20,21,24,25)
InChIKeyAPJVKCHQENAJMK-UHFFFAOYSA-N
XLogP7.85
TPSA429.34 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds15
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001494.80
LogP ≤ 57.85
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
4-(4-Benzylpiperazin-1-yl)-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 53319141
6-(3,4-Dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine
CID 53320466
5-(4-Amino-6-methyl-1,3,5-triazin-2-YL)-N-(6-methoxypyridin-3-YL)-6'-methyl-3,3'-bipyridin-6-amine
CID 59548274
4-[4-[(4-Tert-butylphenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 11420917
(5-(3-Methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
CID 54586147
6-(2-fluoro-4-methoxyphenyl)-N4,N4-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 154734327
N*4*,N*4*-Dibenzyl-6-(4-methoxy-phenyl)-pteridine-2,4-diamine
CID 10575453
4-[6-[(6-Methoxy-3-pyridinyl)amino][2,3'-bipyridin]-5-yl]-6-methyl-1,3,5-triazin-2-amine
CID 49785438
5-(4-Amino-6-methyl-1,3,5-triazin-2-YL)-5'-fluoro-N-(6-methoxypyridin-3-YL)-3,3'-bipyridin-6-amine
CID 49785439
4-[3-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 50944019
4-[6'-[(6-Methoxy-3-pyridinyl)amino][2,3'-bipyridin]-5'-yl]-6-methyl-1,3,5-triazin-2-amine
CID 59548178

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine (CID 157188337) is 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine is COc1cccc(-c2cccc(N3CCN(c4cnc(N)nc4N)CC3)c2)c1.COc1ncc(-c2cccc(N3CCN(c4cnc(N)nc4N)CC3)c2)cn1.COc1ncccc1-c1cccc(N2CCN(c3cnc(N)nc3N)CC2)c1.Cc1ncc(-c2cccc(N3CCN(c4cnc(N)nc4N)CC3)c2)cn1.
What is the InChIKey of 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is APJVKCHQENAJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O.C20H23N7O.C19H22N8O.C19H22N8/c1-28-18-7-3-5-16(13-18)15-4-2-6-17(12-15)26-8-10-27(11-9-26)19-14-24-21(23)25-20(19)22;1-28-19-16(6-3-7-23-19)14-4-2-5-15(12-14)26-8-10-27(11-9-26)17-13-24-20(22)25-18(17)21;1-28-19-23-10-14(11-24-19)13-3-2-4-15(9-13)26-5-7-27(8-6-26)16-12-22-18(21)25-17(16)20;1-13-22-10-15(11-23-13)14-3-2-4-16(9-14)26-5-7-27(8-6-26)17-12-24-19(21)25-18(17)20/h2-7,12-14H,8-11H2,1H3,(H4,22,23,24,25);2-7,12-13H,8-11H2,1H3,(H4,21,22,24,25);2-4,9-12H,5-8H2,1H3,(H4,20,21,22,25);2-4,9-12H,5-8H2,1H3,(H4,20,21,24,25).
What are the key properties of 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 1494.80 g/mol, XLogP of 7.85, 15 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(3-methoxyphenyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-[3-(2-methylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 157188337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).