6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine

C22H26N4O2 — CID 112877687

IUPAC6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3ccccc3C(C)C)nc(C)n2)cc1OC
InChIInChI=1S/C22H26N4O2/c1-14(2)17-8-6-7-9-18(17)26-22-13-21(23-15(3)24-22)25-16-10-11-19(27-4)20(12-16)28-5/h6-14H,1-5H3,(H2,23,24,25,26)
InChIKeyCKTUSGFUZMKUDS-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.41
Rot. Bonds7

About 6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine

6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 112877687) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
PubChem CID112877687
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(Nc3ccccc3C(C)C)nc(C)n2)cc1OC
InChIInChI=1S/C22H26N4O2/c1-14(2)17-8-6-7-9-18(17)26-22-13-21(23-15(3)24-22)25-16-10-11-19(27-4)20(12-16)28-5/h6-14H,1-5H3,(H2,23,24,25,26)
InChIKeyCKTUSGFUZMKUDS-UHFFFAOYSA-N
XLogP5.41
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903113
4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868353
4-N-(3,4-dimethoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80748315
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112922803
5-N-(3-chloro-4-methoxyphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964695
6-N-(4-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878388
6-N-(3,4-dimethoxyphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877180
6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360708
6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849615
6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878300
6-N-(1,3-benzodioxol-5-yl)-4-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878661
6-N-(2-fluorophenyl)-2-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112877851

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine (CID 112877687) is 6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine is COc1ccc(Nc2cc(Nc3ccccc3C(C)C)nc(C)n2)cc1OC.
What is the InChIKey of 6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is CKTUSGFUZMKUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(2)17-8-6-7-9-18(17)26-22-13-21(23-15(3)24-22)25-16-10-11-19(27-4)20(12-16)28-5/h6-14H,1-5H3,(H2,23,24,25,26).
What are the key properties of 6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 378.48 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-dimethoxyphenyl)-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112877687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).