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

C12H15ClN4S — CID 107125278

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2ncc(Cl)s2)nc(C)c1CC
InChIInChI=1S/C12H15ClN4S/c1-4-8-7(3)16-11(17-10(8)14-5-2)12-15-6-9(13)18-12/h6H,4-5H2,1-3H3,(H,14,16,17)
InChIKeyXPRVJXOEDUBHQA-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.56
Rot. Bonds4

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

2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine (PubChem CID 107125278) has the molecular formula C12H15ClN4S and a molecular weight of 282.80 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
PubChem CID107125278
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2ncc(Cl)s2)nc(C)c1CC
InChIInChI=1S/C12H15ClN4S/c1-4-8-7(3)16-11(17-10(8)14-5-2)12-15-6-9(13)18-12/h6H,4-5H2,1-3H3,(H,14,16,17)
InChIKeyXPRVJXOEDUBHQA-UHFFFAOYSA-N
XLogP3.56
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 102843763
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 107125369
N,5-diethyl-6-methyl-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
CID 81311692
5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 107125354
2-(2,3-dichlorophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 63485446
2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 107125357
N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 62192315
N,5-diethyl-2-(5-ethylfuran-2-yl)-6-methylpyrimidin-4-amine
CID 63485450
N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 62191964
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-phenylpyrimidin-4-amine
CID 107125311
2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 55219975
2-(3-bromofuran-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 106889181

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine (CID 107125278) is 2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine is CCNc1nc(-c2ncc(Cl)s2)nc(C)c1CC.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The InChIKey is XPRVJXOEDUBHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-4-8-7(3)16-11(17-10(8)14-5-2)12-15-6-9(13)18-12/h6H,4-5H2,1-3H3,(H,14,16,17).
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine has a molecular weight of 282.80 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 107125278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).