4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine

C15H21N5S — CID 19153971

IUPAC4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCc2cccs2)ncnc1NC1CCCC1
InChIInChI=1S/C15H21N5S/c16-13-14(17-8-7-12-6-3-9-21-12)18-10-19-15(13)20-11-4-1-2-5-11/h3,6,9-11H,1-2,4-5,7-8,16H2,(H2,17,18,19,20)
InChIKeyKSOMQYHMECOKDY-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.13
Rot. Bonds6

About 4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine

4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine (PubChem CID 19153971) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
PubChem CID19153971
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCc2cccs2)ncnc1NC1CCCC1
InChIInChI=1S/C15H21N5S/c16-13-14(17-8-7-12-6-3-9-21-12)18-10-19-15(13)20-11-4-1-2-5-11/h3,6,9-11H,1-2,4-5,7-8,16H2,(H2,17,18,19,20)
InChIKeyKSOMQYHMECOKDY-UHFFFAOYSA-N
XLogP3.13
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
4-N-tert-butyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22540400
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138132
4-N-(2-methoxyethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150523
4-N-(2-fluorophenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19145262
4-N-(2-morpholin-4-ylethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154001
4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150253
6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19152546
4-N-(4-ethylphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22544441
4-N-(5-chloro-2-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19147182
4-N-methyl-4-N-phenyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19144572
4-N-(4-methoxyphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19149188

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine (CID 19153971) is 4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine is Nc1c(NCCc2cccs2)ncnc1NC1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is KSOMQYHMECOKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c16-13-14(17-8-7-12-6-3-9-21-12)18-10-19-15(13)20-11-4-1-2-5-11/h3,6,9-11H,1-2,4-5,7-8,16H2,(H2,17,18,19,20).
What are the key properties of 4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine?
4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 303.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19153971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).