2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine

C14H19ClN4S — CID 107125389

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC(C)C)nc(-c2ncc(Cl)s2)n1
InChIInChI=1S/C14H19ClN4S/c1-4-5-16-12-7-10(6-9(2)3)18-13(19-12)14-17-8-11(15)20-14/h7-9H,4-6H2,1-3H3,(H,16,18,19)
InChIKeyJHMYUAUPAUKMCI-UHFFFAOYSA-N
MW310.85 g/mol
LogP4.27
Rot. Bonds6

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

2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (PubChem CID 107125389) has the molecular formula C14H19ClN4S and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
PubChem CID107125389
Molecular FormulaC14H19ClN4S
Molecular Weight310.85 g/mol
Exact Mass310.10
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC(C)C)nc(-c2ncc(Cl)s2)n1
InChIInChI=1S/C14H19ClN4S/c1-4-5-16-12-7-10(6-9(2)3)18-13(19-12)14-17-8-11(15)20-14/h7-9H,4-6H2,1-3H3,(H,16,18,19)
InChIKeyJHMYUAUPAUKMCI-UHFFFAOYSA-N
XLogP4.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 102844107
2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 107125280
2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381242
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-phenylpyrimidin-4-amine
CID 107125311
[2-(5-chloro-1,3-thiazol-2-yl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 107125441
2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 106889292
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 107125410
2-(2-ethoxyethyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 106815334
2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 107504381
2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 107125310
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
2-(2,3-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 63479494

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (CID 107125389) is 2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is CCCNc1cc(CC(C)C)nc(-c2ncc(Cl)s2)n1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The InChIKey is JHMYUAUPAUKMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4S/c1-4-5-16-12-7-10(6-9(2)3)18-13(19-12)14-17-8-11(15)20-14/h7-9H,4-6H2,1-3H3,(H,16,18,19).
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine has a molecular weight of 310.85 g/mol, XLogP of 4.27, 6 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)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 107125389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).