6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine

C10H11ClN4S — CID 23477636

IUPAC6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NCCc1cccs1
InChIInChI=1S/C10H11ClN4S/c11-9-8(12)10(15-6-14-9)13-4-3-7-2-1-5-16-7/h1-2,5-6H,3-4,12H2,(H,13,14,15)
InChIKeyALCUBANKCOBRJI-UHFFFAOYSA-N
MW254.75 g/mol
LogP2.43
Rot. Bonds4

About 6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine

6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine (PubChem CID 23477636) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
PubChem CID23477636
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NCCc1cccs1
InChIInChI=1S/C10H11ClN4S/c11-9-8(12)10(15-6-14-9)13-4-3-7-2-1-5-16-7/h1-2,5-6H,3-4,12H2,(H,13,14,15)
InChIKeyALCUBANKCOBRJI-UHFFFAOYSA-N
XLogP2.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154358
4-N-tert-butyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22540400
4-N-(5-chloro-2-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19147182
4-N-(2-methoxyethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150523
4-N-cyclopentyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19153971
4-N-(3-chloro-2-methylphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22545506
6-propan-2-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19152546
4-N-benzhydryl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150253
4-N-(2-fluorophenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19145262
4-N-(4-ethylphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22544441
4-N-(2-morpholin-4-ylethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154001
4-N-methyl-4-N-phenyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19144572

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine (CID 23477636) is 6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine is Nc1c(Cl)ncnc1NCCc1cccs1.
What is the InChIKey of 6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
The InChIKey is ALCUBANKCOBRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c11-9-8(12)10(15-6-14-9)13-4-3-7-2-1-5-16-7/h1-2,5-6H,3-4,12H2,(H,13,14,15).
What are the key properties of 6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine has a molecular weight of 254.75 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 23477636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).