4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine

C26H31N5O — CID 44532747

IUPAC4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine
SMILESCCCN1CCC=C(c2cccc(Nc3nccc(Nc4cc(OC)ccc4C)n3)c2)C1
InChIInChI=1S/C26H31N5O/c1-4-14-31-15-6-8-21(18-31)20-7-5-9-22(16-20)28-26-27-13-12-25(30-26)29-24-17-23(32-3)11-10-19(24)2/h5,7-13,16-17H,4,6,14-15,18H2,1-3H3,(H2,27,28,29,30)
InChIKeyIXCRNKCVTDMWCO-UHFFFAOYSA-N
MW429.57 g/mol
LogP5.78
Rot. Bonds8

About 4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine

4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine (PubChem CID 44532747) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine
PubChem CID44532747
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine
SMILESCCCN1CCC=C(c2cccc(Nc3nccc(Nc4cc(OC)ccc4C)n3)c2)C1
InChIInChI=1S/C26H31N5O/c1-4-14-31-15-6-8-21(18-31)20-7-5-9-22(16-20)28-26-27-13-12-25(30-26)29-24-17-23(32-3)11-10-19(24)2/h5,7-13,16-17H,4,6,14-15,18H2,1-3H3,(H2,27,28,29,30)
InChIKeyIXCRNKCVTDMWCO-UHFFFAOYSA-N
XLogP5.78
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[3-(3-methoxyphenyl)phenyl]-4-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798064
2-N-(3-methoxyphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904687
4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903019
3-[[2-(3-ethylanilino)pyrimidin-4-yl]amino]-4-methylphenol
CID 123833120
4-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895526
methyl 3-[[4-(2,5-dimethoxyanilino)pyrimidin-2-yl]amino]benzoate
CID 112905274
2-N-(3-methoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886107
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904653
4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887531
2-N-(3-methoxyphenyl)-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112904686
2-N-[3-(3-chlorophenyl)phenyl]-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798343
2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881863

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine (CID 44532747) is 4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine is CCCN1CCC=C(c2cccc(Nc3nccc(Nc4cc(OC)ccc4C)n3)c2)C1.
What is the InChIKey of 4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is IXCRNKCVTDMWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-4-14-31-15-6-8-21(18-31)20-7-5-9-22(16-20)28-26-27-13-12-25(30-26)29-24-17-23(32-3)11-10-19(24)2/h5,7-13,16-17H,4,6,14-15,18H2,1-3H3,(H2,27,28,29,30).
What are the key properties of 4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine?
4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 429.57 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methoxy-2-methylphenyl)-2-N-[3-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 44532747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).