4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine

C12H11ClN6S — CID 164625583

IUPAC4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESCn1cc(Cc2cncs2)c(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C12H11ClN6S/c1-19-5-7(2-8-4-15-6-20-8)11(18-19)9-3-10(13)17-12(14)16-9/h3-6H,2H2,1H3,(H2,14,16,17)
InChIKeyNJGCISWXLFZTAG-UHFFFAOYSA-N
MW306.78 g/mol
LogP2.16
Rot. Bonds3

About 4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine

4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine (PubChem CID 164625583) has the molecular formula C12H11ClN6S and a molecular weight of 306.78 g/mol. Its IUPAC name is 4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
PubChem CID164625583
Molecular FormulaC12H11ClN6S
Molecular Weight306.78 g/mol
Exact Mass306.05
IUPAC Name4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESCn1cc(Cc2cncs2)c(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C12H11ClN6S/c1-19-5-7(2-8-4-15-6-20-8)11(18-19)9-3-10(13)17-12(14)16-9/h3-6H,2H2,1H3,(H2,14,16,17)
InChIKeyNJGCISWXLFZTAG-UHFFFAOYSA-N
XLogP2.16
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-Chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 164616101
N1-(4-(2-chlorophenyl)-6-(2-(isopropylamino)thiazol-5-yl)pyrimidin-2-yl)-N2,N2-dimethylethane-1,2-diamine
CID 52949671
5-(6-(2-Chlorophenyl)pyrimidin-4-yl)-n-isopropylthiazol-2-amine
CID 52941551
4-Chloro-6-[1,5-dimethyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 164609956
4-Chloro-6-[1,5-dimethyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 164623748
1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine
CID 46228717
4-Methyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 164614874
4-Chloro-6-[1-methyl-4-[(5-methylthiophen-2-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine
CID 164623984
4-(2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 2728477
N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-5-methyl-4-(1-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 46997444
4-Chloro-6-[1,5-dimethyl-4-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-yl]pyrimidin-2-amine
CID 164617349
2-[1-[(2-Fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole
CID 56598663

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine (CID 164625583) is 4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine is Cn1cc(Cc2cncs2)c(-c2cc(Cl)nc(N)n2)n1.
What is the InChIKey of 4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is NJGCISWXLFZTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6S/c1-19-5-7(2-8-4-15-6-20-8)11(18-19)9-3-10(13)17-12(14)16-9/h3-6H,2H2,1H3,(H2,14,16,17).
What are the key properties of 4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 306.78 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[1-methyl-4-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 164625583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).