6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine

C12H14Cl2N6 — CID 143021199

IUPAC6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine
SMILESCc1cnc(CNc2nc(N)nc(Cl)c2N)c(C)c1Cl
InChIInChI=1S/C12H14Cl2N6/c1-5-3-17-7(6(2)8(5)13)4-18-11-9(15)10(14)19-12(16)20-11/h3H,4,15H2,1-2H3,(H3,16,18,19,20)
InChIKeyHXXLQZYOUYRYTO-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.57
Rot. Bonds3

About 6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine

6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine (PubChem CID 143021199) has the molecular formula C12H14Cl2N6 and a molecular weight of 313.19 g/mol. Its IUPAC name is 6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine
PubChem CID143021199
Molecular FormulaC12H14Cl2N6
Molecular Weight313.19 g/mol
Exact Mass312.07
IUPAC Name6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine
SMILESCc1cnc(CNc2nc(N)nc(Cl)c2N)c(C)c1Cl
InChIInChI=1S/C12H14Cl2N6/c1-5-3-17-7(6(2)8(5)13)4-18-11-9(15)10(14)19-12(16)20-11/h3H,4,15H2,1-2H3,(H3,16,18,19,20)
InChIKeyHXXLQZYOUYRYTO-UHFFFAOYSA-N
XLogP2.57
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine 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 6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine?
The IUPAC name of 6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine (CID 143021199) is 6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine?
The canonical SMILES for 6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine is Cc1cnc(CNc2nc(N)nc(Cl)c2N)c(C)c1Cl.
What is the InChIKey of 6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine?
The InChIKey is HXXLQZYOUYRYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N6/c1-5-3-17-7(6(2)8(5)13)4-18-11-9(15)10(14)19-12(16)20-11/h3H,4,15H2,1-2H3,(H3,16,18,19,20).
What are the key properties of 6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine?
6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine has a molecular weight of 313.19 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine is sourced from PubChem (CID 143021199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).