5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide

C13H14Cl2N6O — CID 71011241

IUPAC5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide
SMILESCNc1nc(NCc2c(Cl)cccc2Cl)c(N)c(C(N)=O)n1
InChIInChI=1S/C13H14Cl2N6O/c1-18-13-20-10(11(17)22)9(16)12(21-13)19-5-6-7(14)3-2-4-8(6)15/h2-4H,5,16H2,1H3,(H2,17,22)(H2,18,19,20,21)
InChIKeyGJFDKVIHXQQUSF-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.12
Rot. Bonds5

About 5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide

5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide (PubChem CID 71011241) has the molecular formula C13H14Cl2N6O and a molecular weight of 341.20 g/mol. Its IUPAC name is 5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide
PubChem CID71011241
Molecular FormulaC13H14Cl2N6O
Molecular Weight341.20 g/mol
Exact Mass340.06
IUPAC Name5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide
SMILESCNc1nc(NCc2c(Cl)cccc2Cl)c(N)c(C(N)=O)n1
InChIInChI=1S/C13H14Cl2N6O/c1-18-13-20-10(11(17)22)9(16)12(21-13)19-5-6-7(14)3-2-4-8(6)15/h2-4H,5,16H2,1H3,(H2,17,22)(H2,18,19,20,21)
InChIKeyGJFDKVIHXQQUSF-UHFFFAOYSA-N
XLogP2.12
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide (CID 71011241) is 5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide is CNc1nc(NCc2c(Cl)cccc2Cl)c(N)c(C(N)=O)n1.
What is the InChIKey of 5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide?
The InChIKey is GJFDKVIHXQQUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N6O/c1-18-13-20-10(11(17)22)9(16)12(21-13)19-5-6-7(14)3-2-4-8(6)15/h2-4H,5,16H2,1H3,(H2,17,22)(H2,18,19,20,21).
What are the key properties of 5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide?
5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide has a molecular weight of 341.20 g/mol, XLogP of 2.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2,6-dichlorophenyl)methylamino]-2-(methylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 71011241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).