6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine

C9H9ClN4S — CID 63248168

IUPAC6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NCc1ccsc1
InChIInChI=1S/C9H9ClN4S/c10-8-7(11)9(14-5-13-8)12-3-6-1-2-15-4-6/h1-2,4-5H,3,11H2,(H,12,13,14)
InChIKeyUEDWTXLKURHSCX-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.39
Rot. Bonds3

About 6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine

6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 63248168) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine
PubChem CID63248168
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NCc1ccsc1
InChIInChI=1S/C9H9ClN4S/c10-8-7(11)9(14-5-13-8)12-3-6-1-2-15-4-6/h1-2,4-5H,3,11H2,(H,12,13,14)
InChIKeyUEDWTXLKURHSCX-UHFFFAOYSA-N
XLogP2.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729876
6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine
CID 115474154
5-nitro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80827948
5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 66341707
4-[[(5-amino-6-chloropyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379356
6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 66327283
5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80828399
3-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 83065242
6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 63245983
2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 65485686
6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine
CID 55134343

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine (CID 63248168) is 6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine is Nc1c(Cl)ncnc1NCc1ccsc1.
What is the InChIKey of 6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is UEDWTXLKURHSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c10-8-7(11)9(14-5-13-8)12-3-6-1-2-15-4-6/h1-2,4-5H,3,11H2,(H,12,13,14).
What are the key properties of 6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 240.72 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 63248168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).