5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine

C10H10BrClN4S — CID 107125354

IUPAC5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2ncc(Cl)s2)nc(NC)c1Br
InChIInChI=1S/C10H10BrClN4S/c1-3-5-7(11)8(13-2)16-9(15-5)10-14-4-6(12)17-10/h4H,3H2,1-2H3,(H,13,15,16)
InChIKeyKJPRDMKXMIJWRO-UHFFFAOYSA-N
MW333.64 g/mol
LogP3.62
Rot. Bonds3

About 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine

5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 107125354) has the molecular formula C10H10BrClN4S and a molecular weight of 333.64 g/mol. Its IUPAC name is 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID107125354
Molecular FormulaC10H10BrClN4S
Molecular Weight333.64 g/mol
Exact Mass331.95
IUPAC Name5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2ncc(Cl)s2)nc(NC)c1Br
InChIInChI=1S/C10H10BrClN4S/c1-3-5-7(11)8(13-2)16-9(15-5)10-14-4-6(12)17-10/h4H,3H2,1-2H3,(H,13,15,16)
InChIKeyKJPRDMKXMIJWRO-UHFFFAOYSA-N
XLogP3.62
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.64
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 107125357
5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 107125379
5-bromo-2-(4-chlorothiophen-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 79427772
2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole
CID 107124723
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 107125369
2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 107125278
2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 107125280
5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 79980128
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66298851
5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole
CID 107124705
5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine
CID 106849561
5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305751

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine (CID 107125354) is 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine is CCc1nc(-c2ncc(Cl)s2)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is KJPRDMKXMIJWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4S/c1-3-5-7(11)8(13-2)16-9(15-5)10-14-4-6(12)17-10/h4H,3H2,1-2H3,(H,13,15,16).
What are the key properties of 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine?
5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 333.64 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 107125354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).