4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine

C19H20N4O — CID 112865199

IUPAC4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1cc(Nc2cc(C)ccc2C)ncn1
InChIInChI=1S/C19H20N4O/c1-13-8-9-14(2)16(10-13)23-19-11-18(20-12-21-19)22-15-6-4-5-7-17(15)24-3/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKeyONIIVMKQAPNUBS-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.59
Rot. Bonds5

About 4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine

4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112865199) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112865199
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1cc(Nc2cc(C)ccc2C)ncn1
InChIInChI=1S/C19H20N4O/c1-13-8-9-14(2)16(10-13)23-19-11-18(20-12-21-19)22-15-6-4-5-7-17(15)24-3/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKeyONIIVMKQAPNUBS-UHFFFAOYSA-N
XLogP4.59
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112866380
4-N-(2-ethoxyphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866112
N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109356801
6-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 115416307
4-N-tert-butyl-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112863804
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
4-N-(2-methoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864024
N-(2,5-dimethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109356888
6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858790
6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112858817
N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine
CID 115416333

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine (CID 112865199) is 4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine is COc1ccccc1Nc1cc(Nc2cc(C)ccc2C)ncn1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is ONIIVMKQAPNUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-8-9-14(2)16(10-13)23-19-11-18(20-12-21-19)22-15-6-4-5-7-17(15)24-3/h4-12H,1-3H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine?
4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 320.40 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112865199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).