6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

C11H11ClN4S — CID 80953226

IUPAC6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESClc1cc(NCc2nccs2)nc(C2CC2)n1
InChIInChI=1S/C11H11ClN4S/c12-8-5-9(14-6-10-13-3-4-17-10)16-11(15-8)7-1-2-7/h3-5,7H,1-2,6H2,(H,14,15,16)
InChIKeyMXNIYJBRXJCLQW-UHFFFAOYSA-N
MW266.76 g/mol
LogP3.08
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80953226) has the molecular formula C11H11ClN4S and a molecular weight of 266.76 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID80953226
Molecular FormulaC11H11ClN4S
Molecular Weight266.76 g/mol
Exact Mass266.04
IUPAC Name6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESClc1cc(NCc2nccs2)nc(C2CC2)n1
InChIInChI=1S/C11H11ClN4S/c12-8-5-9(14-6-10-13-3-4-17-10)16-11(15-8)7-1-2-7/h3-5,7H,1-2,6H2,(H,14,15,16)
InChIKeyMXNIYJBRXJCLQW-UHFFFAOYSA-N
XLogP3.08
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.76
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 80953226) is 6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is Clc1cc(NCc2nccs2)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is MXNIYJBRXJCLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4S/c12-8-5-9(14-6-10-13-3-4-17-10)16-11(15-8)7-1-2-7/h3-5,7H,1-2,6H2,(H,14,15,16).
What are the key properties of 6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 266.76 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80953226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).