6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine

C12H14ClN5 — CID 80966016

IUPAC6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-n2cc(Cl)cn2)nc(C2CC2)n1
InChIInChI=1S/C12H14ClN5/c1-2-14-10-5-11(18-7-9(13)6-15-18)17-12(16-10)8-3-4-8/h5-8H,2-4H2,1H3,(H,14,16,17)
InChIKeyUNZUMTRIASTEDZ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.62
Rot. Bonds4

About 6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine

6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 80966016) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID80966016
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-n2cc(Cl)cn2)nc(C2CC2)n1
InChIInChI=1S/C12H14ClN5/c1-2-14-10-5-11(18-7-9(13)6-15-18)17-12(16-10)8-3-4-8/h5-8H,2-4H2,1H3,(H,14,16,17)
InChIKeyUNZUMTRIASTEDZ-UHFFFAOYSA-N
XLogP2.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-ethyl-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
CID 80965817
2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine
CID 80966267
[6-(4-chloropyrazol-1-yl)-2-cyclopropylpyrimidin-4-yl]hydrazine
CID 80968944
6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965540
2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80967631
2-cyclopropyl-6-(3,5-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80965855
6-(4-chloropyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80965622
2-cyclopropyl-6-(3,5-diethylpyrazol-1-yl)-N-ethylpyrimidin-4-amine
CID 82698934
2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-N-ethylpyrimidin-4-amine
CID 80966773
[2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80968430
6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 80856995
6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952474

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine (CID 80966016) is 6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine is CCNc1cc(-n2cc(Cl)cn2)nc(C2CC2)n1.
What is the InChIKey of 6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is UNZUMTRIASTEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-2-14-10-5-11(18-7-9(13)6-15-18)17-12(16-10)8-3-4-8/h5-8H,2-4H2,1H3,(H,14,16,17).
What are the key properties of 6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80966016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).