4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine

C15H15ClN6S — CID 19154358

IUPAC4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCc2cccs2)ncnc1Nc1cccnc1Cl
InChIInChI=1S/C15H15ClN6S/c16-13-11(4-1-6-18-13)22-15-12(17)14(20-9-21-15)19-7-5-10-3-2-8-23-10/h1-4,6,8-9H,5,7,17H2,(H2,19,20,21,22)
InChIKeyANABLWMNSFYNEB-UHFFFAOYSA-N
MW346.85 g/mol
LogP3.57
Rot. Bonds6

About 4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine

4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine (PubChem CID 19154358) has the molecular formula C15H15ClN6S and a molecular weight of 346.85 g/mol. Its IUPAC name is 4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
PubChem CID19154358
Molecular FormulaC15H15ClN6S
Molecular Weight346.85 g/mol
Exact Mass346.08
IUPAC Name4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCc2cccs2)ncnc1Nc1cccnc1Cl
InChIInChI=1S/C15H15ClN6S/c16-13-11(4-1-6-18-13)22-15-12(17)14(20-9-21-15)19-7-5-10-3-2-8-23-10/h1-4,6,8-9H,5,7,17H2,(H2,19,20,21,22)
InChIKeyANABLWMNSFYNEB-UHFFFAOYSA-N
XLogP3.57
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.85
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
4-N-(3-chloro-2-methylphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22545506
4-N-(2-fluorophenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19145262
4-N-(5-chloro-2-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19147182
4-N-(2-ethoxyphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154246
4-N-tert-butyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22540400
4-N-(4-ethylphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22544441
4-N-(2-methoxyethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150523
4-N-(4-methoxyphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19149188
4-N-(6-methyl-2-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22542461
4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19153971
1-[4-[[5-amino-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 19149391

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine (CID 19154358) is 4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine is Nc1c(NCCc2cccs2)ncnc1Nc1cccnc1Cl.
What is the InChIKey of 4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is ANABLWMNSFYNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6S/c16-13-11(4-1-6-18-13)22-15-12(17)14(20-9-21-15)19-7-5-10-3-2-8-23-10/h1-4,6,8-9H,5,7,17H2,(H2,19,20,21,22).
What are the key properties of 4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine?
4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 346.85 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19154358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).