4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

C16H14Cl2N6 — CID 22542701

IUPAC4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCc2cccnc2)ncnc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H14Cl2N6/c17-11-4-12(18)6-13(5-11)24-16-14(19)15(22-9-23-16)21-8-10-2-1-3-20-7-10/h1-7,9H,8,19H2,(H2,21,22,23,24)
InChIKeyVQGGLQUASCIQTD-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.12
Rot. Bonds5

About 4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine (PubChem CID 22542701) has the molecular formula C16H14Cl2N6 and a molecular weight of 361.24 g/mol. Its IUPAC name is 4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
PubChem CID22542701
Molecular FormulaC16H14Cl2N6
Molecular Weight361.24 g/mol
Exact Mass360.07
IUPAC Name4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCc2cccnc2)ncnc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H14Cl2N6/c17-11-4-12(18)6-13(5-11)24-16-14(19)15(22-9-23-16)21-8-10-2-1-3-20-7-10/h1-7,9H,8,19H2,(H2,21,22,23,24)
InChIKeyVQGGLQUASCIQTD-UHFFFAOYSA-N
XLogP4.12
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine with MolForge

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

Launch Full Analysis

Related Compounds

6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544898
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
6-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542878
6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22542797
methyl 4-[[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 22542814
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
4-N-(3-chlorophenyl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 23481319
4-N,4-N-dimethyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542727
6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825
4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542762
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
6-(4-bromophenoxy)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542905

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine (CID 22542701) is 4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine is Nc1c(NCc2cccnc2)ncnc1Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
The InChIKey is VQGGLQUASCIQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N6/c17-11-4-12(18)6-13(5-11)24-16-14(19)15(22-9-23-16)21-8-10-2-1-3-20-7-10/h1-7,9H,8,19H2,(H2,21,22,23,24).
What are the key properties of 4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine?
4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine has a molecular weight of 361.24 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22542701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).