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

C19H15ClN6 — CID 163404084

IUPAC2-N-(4-chlorophenyl)-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine
SMILESCc1cccc2c(Nc3ccnc(Nc4ccc(Cl)cc4)n3)cnnc12
InChIInChI=1S/C19H15ClN6/c1-12-3-2-4-15-16(11-22-26-18(12)15)24-17-9-10-21-19(25-17)23-14-7-5-13(20)6-8-14/h2-11H,1H3,(H2,21,23,24,25,26)
InChIKeyOGDPSXXGNQMJGZ-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.87
Rot. Bonds4

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

2-N-(4-chlorophenyl)-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine (PubChem CID 163404084) has the molecular formula C19H15ClN6 and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine
PubChem CID163404084
Molecular FormulaC19H15ClN6
Molecular Weight362.82 g/mol
Exact Mass362.10
IUPAC Name2-N-(4-chlorophenyl)-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine
SMILESCc1cccc2c(Nc3ccnc(Nc4ccc(Cl)cc4)n3)cnnc12
InChIInChI=1S/C19H15ClN6/c1-12-3-2-4-15-16(11-22-26-18(12)15)24-17-9-10-21-19(25-17)23-14-7-5-13(20)6-8-14/h2-11H,1H3,(H2,21,23,24,25,26)
InChIKeyOGDPSXXGNQMJGZ-UHFFFAOYSA-N
XLogP4.87
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine (CID 163404084) is 2-N-(4-chlorophenyl)-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine is Cc1cccc2c(Nc3ccnc(Nc4ccc(Cl)cc4)n3)cnnc12.
What is the InChIKey of 2-N-(4-chlorophenyl)-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is OGDPSXXGNQMJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6/c1-12-3-2-4-15-16(11-22-26-18(12)15)24-17-9-10-21-19(25-17)23-14-7-5-13(20)6-8-14/h2-11H,1H3,(H2,21,23,24,25,26).
What are the key properties of 2-N-(4-chlorophenyl)-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine?
2-N-(4-chlorophenyl)-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 362.82 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-4-N-(8-methylcinnolin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 163404084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).