4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine

C19H20N4O2 — CID 112876906

IUPAC4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3ccccc3)nc(C)n2)c(OC)c1
InChIInChI=1S/C19H20N4O2/c1-13-20-18(22-14-7-5-4-6-8-14)12-19(21-13)23-16-10-9-15(24-2)11-17(16)25-3/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKeyFAEOVUNKNHCNOP-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.29
Rot. Bonds6

About 4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine

4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine (PubChem CID 112876906) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
PubChem CID112876906
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3ccccc3)nc(C)n2)c(OC)c1
InChIInChI=1S/C19H20N4O2/c1-13-20-18(22-14-7-5-4-6-8-14)12-19(21-13)23-16-10-9-15(24-2)11-17(16)25-3/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKeyFAEOVUNKNHCNOP-UHFFFAOYSA-N
XLogP4.29
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,4-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877821
N-[4-[[6-(2,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878632
6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878650
N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 20899006
6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112878647
6-N-(4-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878388
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867967
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876894
4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877814
4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877885
6-N-(3-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878334
4-N-(2,4-dimethoxyphenyl)-6-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874245

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine (CID 112876906) is 4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine is COc1ccc(Nc2cc(Nc3ccccc3)nc(C)n2)c(OC)c1.
What is the InChIKey of 4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
The InChIKey is FAEOVUNKNHCNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-20-18(22-14-7-5-4-6-8-14)12-19(21-13)23-16-10-9-15(24-2)11-17(16)25-3/h4-12H,1-3H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine?
4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine has a molecular weight of 336.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112876906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).