4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

C20H22N4O3 — CID 112930724

IUPAC4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(C)cc(Nc3cc(OC)ccc3OC)n2)cc1
InChIInChI=1S/C20H22N4O3/c1-13-11-19(23-17-12-16(26-3)9-10-18(17)27-4)24-20(21-13)22-14-5-7-15(25-2)8-6-14/h5-12H,1-4H3,(H2,21,22,23,24)
InChIKeyXBVPUMJTTQJQGP-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.30
Rot. Bonds7

About 4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112930724) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112930724
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(C)cc(Nc3cc(OC)ccc3OC)n2)cc1
InChIInChI=1S/C20H22N4O3/c1-13-11-19(23-17-12-16(26-3)9-10-18(17)27-4)24-20(21-13)22-14-5-7-15(25-2)8-6-14/h5-12H,1-4H3,(H2,21,22,23,24)
InChIKeyXBVPUMJTTQJQGP-UHFFFAOYSA-N
XLogP4.30
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2,5-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928330
4-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929390
2-N-(2,6-difluorophenyl)-4-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112931156
2-N-(4-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930399
4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930022
4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924686
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112931170
4-N-(2,5-dimethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908787
4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928075
methyl 2-[[2-(2,5-dimethoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112931164
4-N-(2-methoxyphenyl)-6-methyl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112930435
4-[[4-(2-methoxy-5-methylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112930987

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 112930724) is 4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is COc1ccc(Nc2nc(C)cc(Nc3cc(OC)ccc3OC)n2)cc1.
What is the InChIKey of 4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is XBVPUMJTTQJQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-11-19(23-17-12-16(26-3)9-10-18(17)27-4)24-20(21-13)22-14-5-7-15(25-2)8-6-14/h5-12H,1-4H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 366.42 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112930724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).