4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine

C18H18N4 — CID 112864815

IUPAC4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1cc(Nc2ccccc2C)ncn1
InChIInChI=1S/C18H18N4/c1-13-7-3-5-9-15(13)21-17-11-18(20-12-19-17)22-16-10-6-4-8-14(16)2/h3-12H,1-2H3,(H2,19,20,21,22)
InChIKeyXRUAADOSLDORKC-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.58
Rot. Bonds4

About 4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine

4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112864815) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112864815
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1cc(Nc2ccccc2C)ncn1
InChIInChI=1S/C18H18N4/c1-13-7-3-5-9-15(13)21-17-11-18(20-12-19-17)22-16-10-6-4-8-14(16)2/h3-12H,1-2H3,(H2,19,20,21,22)
InChIKeyXRUAADOSLDORKC-UHFFFAOYSA-N
XLogP4.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755281
6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112857443
4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112859471
N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10381898
4-N-(5-chloro-2-methylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 112865622
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865199
4-[6-(2-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858270
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109340845
4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80763536
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112863083

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine (CID 112864815) is 4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine is Cc1ccccc1Nc1cc(Nc2ccccc2C)ncn1.
What is the InChIKey of 4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is XRUAADOSLDORKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-13-7-3-5-9-15(13)21-17-11-18(20-12-19-17)22-16-10-6-4-8-14(16)2/h3-12H,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine?
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 290.37 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112864815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).