4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine

C20H21ClN4O — CID 112878027

IUPAC4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(Cl)cc2)cc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C20H21ClN4O/c1-13(2)26-18-10-8-17(9-11-18)25-20-12-19(22-14(3)23-20)24-16-6-4-15(21)5-7-16/h4-13H,1-3H3,(H2,22,23,24,25)
InChIKeyHDYZFCVGSDLQAT-UHFFFAOYSA-N
MW368.87 g/mol
LogP5.71
Rot. Bonds6

About 4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine

4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112878027) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
PubChem CID112878027
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(Cl)cc2)cc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C20H21ClN4O/c1-13(2)26-18-10-8-17(9-11-18)25-20-12-19(22-14(3)23-20)24-16-6-4-15(21)5-7-16/h4-13H,1-3H3,(H2,22,23,24,25)
InChIKeyHDYZFCVGSDLQAT-UHFFFAOYSA-N
XLogP5.71
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.87
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-propan-2-yloxyaniline
CID 82535862
4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112868724
2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868535
2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873618
6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 80919860
N-(3,5-dimethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849129
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112873973
6-N-(4-chlorophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878057
N-(4-ethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849449
6-N-(4-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878388
6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850129
N-(4-chlorophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850162

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (CID 112878027) is 4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is Cc1nc(Nc2ccc(Cl)cc2)cc(Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is HDYZFCVGSDLQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-13(2)26-18-10-8-17(9-11-18)25-20-12-19(22-14(3)23-20)24-16-6-4-15(21)5-7-16/h4-13H,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 368.87 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112878027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).