4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine

C20H18N6 — CID 163404155

IUPAC4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(Nc3cnnc4c(C)cccc34)n2)cc1
InChIInChI=1S/C20H18N6/c1-13-6-8-15(9-7-13)23-20-21-11-10-18(25-20)24-17-12-22-26-19-14(2)4-3-5-16(17)19/h3-12H,1-2H3,(H2,21,23,24,25,26)
InChIKeyAWMIFOMHSCWMMR-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.52
Rot. Bonds4

About 4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine

4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 163404155) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID163404155
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(Nc3cnnc4c(C)cccc34)n2)cc1
InChIInChI=1S/C20H18N6/c1-13-6-8-15(9-7-13)23-20-21-11-10-18(25-20)24-17-12-22-26-19-14(2)4-3-5-16(17)19/h3-12H,1-2H3,(H2,21,23,24,25,26)
InChIKeyAWMIFOMHSCWMMR-UHFFFAOYSA-N
XLogP4.52
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(8-methylcinnolin-4-yl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 163404124
bis(2-N-(2-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine);bis(2-N-(3-methylphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine)
CID 158640919
N-(2-chloro-5-fluoropyrimidin-4-yl)-8-methylcinnolin-4-amine
CID 163404144
4-N-(2,5-dimethylphenyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112902505
2-N-(3-bromo-4-methylphenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901813
4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112902002
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112902014
4-N-(2,3-dimethylphenyl)-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112902723
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 71671107
4-N-[2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 146212994
2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881
2-N-(4-methylphenyl)-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890029

Frequently Asked Questions

What is the IUPAC name of 4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 163404155) is 4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2nccc(Nc3cnnc4c(C)cccc34)n2)cc1.
What is the InChIKey of 4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is AWMIFOMHSCWMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-13-6-8-15(9-7-13)23-20-21-11-10-18(25-20)24-17-12-22-26-19-14(2)4-3-5-16(17)19/h3-12H,1-2H3,(H2,21,23,24,25,26).
What are the key properties of 4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 342.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(8-methylcinnolin-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 163404155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).