4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine

C21H24N4O2 — CID 112866363

IUPAC4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(C)cc1Nc1cc(Nc2ccc(OC(C)C)cc2)ncn1
InChIInChI=1S/C21H24N4O2/c1-14(2)27-17-8-6-16(7-9-17)24-20-12-21(23-13-22-20)25-18-11-15(3)5-10-19(18)26-4/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyDCOXCOOBVOCLLH-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.07
Rot. Bonds7

About 4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine

4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112866363) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
PubChem CID112866363
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(C)cc1Nc1cc(Nc2ccc(OC(C)C)cc2)ncn1
InChIInChI=1S/C21H24N4O2/c1-14(2)27-17-8-6-16(7-9-17)24-20-12-21(23-13-22-20)25-18-11-15(3)5-10-19(18)26-4/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyDCOXCOOBVOCLLH-UHFFFAOYSA-N
XLogP5.07
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-chloro-4-methoxyphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866008
5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293804
4-N-(2-methoxy-5-methylphenyl)-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112877102
6-N-(4-ethoxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866323
4-N-(2,5-dimethoxyphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866453
4-N-tert-butyl-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112863804
6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112866380
3-N-(2,5-dimethoxyphenyl)-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967854
4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865199
4-N-(3,5-dimethylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865267
6-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877582
N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109358003

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (CID 112866363) is 4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is COc1ccc(C)cc1Nc1cc(Nc2ccc(OC(C)C)cc2)ncn1.
What is the InChIKey of 4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is DCOXCOOBVOCLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)27-17-8-6-16(7-9-17)24-20-12-21(23-13-22-20)25-18-11-15(3)5-10-19(18)26-4/h5-14H,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 364.45 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112866363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).