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

C8H7ClN4S — CID 130603940

IUPAC4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1Cc1nccs1
InChIInChI=1S/C8H7ClN4S/c9-8-7(10)5(12-4-13-8)3-6-11-1-2-14-6/h1-2,4H,3,10H2
InChIKeyKMGMKPANDHHBMN-UHFFFAOYSA-N
MW226.69 g/mol
LogP1.76
Rot. Bonds2

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

4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-5-amine (PubChem CID 130603940) has the molecular formula C8H7ClN4S and a molecular weight of 226.69 g/mol. Its IUPAC name is 4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-5-amine
PubChem CID130603940
Molecular FormulaC8H7ClN4S
Molecular Weight226.69 g/mol
Exact Mass226.01
IUPAC Name4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1Cc1nccs1
InChIInChI=1S/C8H7ClN4S/c9-8-7(10)5(12-4-13-8)3-6-11-1-2-14-6/h1-2,4H,3,10H2
InChIKeyKMGMKPANDHHBMN-UHFFFAOYSA-N
XLogP1.76
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carbaldehyde
CID 79820062
5-chloro-3-(1,3-thiazol-2-ylmethyl)pyridin-2-amine
CID 79823747
5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 79819683
2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide
CID 21141047
6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 63728982
2-ethyl-5-methyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80977439
2-(chloromethyl)-1,3-thiazole;hydrochloride
CID 23043559
N-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 79819985
propane-1,1-diamine;2-propyl-1,3-thiazole
CID 67654906
1-[5-chloro-2-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
CID 79824960
4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine
CID 79820066
1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116609810

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-5-amine (CID 130603940) is 4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-5-amine is Nc1c(Cl)ncnc1Cc1nccs1.
What is the InChIKey of 4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-5-amine?
The InChIKey is KMGMKPANDHHBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S/c9-8-7(10)5(12-4-13-8)3-6-11-1-2-14-6/h1-2,4H,3,10H2.
What are the key properties of 4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-5-amine?
4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-5-amine has a molecular weight of 226.69 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-5-amine is sourced from PubChem (CID 130603940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).