6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine

C12H15ClN4S — CID 79555384

IUPAC6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(C)Cc2cscn2)n1
InChIInChI=1S/C12H15ClN4S/c1-4-10-15-11(13)8(2)12(16-10)17(3)5-9-6-18-7-14-9/h6-7H,4-5H2,1-3H3
InChIKeyOWIUNQONMYKAQQ-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.09
Rot. Bonds4

About 6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine

6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine (PubChem CID 79555384) has the molecular formula C12H15ClN4S and a molecular weight of 282.80 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
PubChem CID79555384
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC Name6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(C)Cc2cscn2)n1
InChIInChI=1S/C12H15ClN4S/c1-4-10-15-11(13)8(2)12(16-10)17(3)5-9-6-18-7-14-9/h6-7H,4-5H2,1-3H3
InChIKeyOWIUNQONMYKAQQ-UHFFFAOYSA-N
XLogP3.09
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine (CID 79555384) is 6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(N(C)Cc2cscn2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is OWIUNQONMYKAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-4-10-15-11(13)8(2)12(16-10)17(3)5-9-6-18-7-14-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 282.80 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 79555384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).