6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine

C13H16ClN5 — CID 80965540

IUPAC6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-n2cc(Cl)c(C)n2)nc(C2CC2)n1
InChIInChI=1S/C13H16ClN5/c1-3-15-11-6-12(17-13(16-11)9-4-5-9)19-7-10(14)8(2)18-19/h6-7,9H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyJTWOWMTZYFPIIR-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.93
Rot. Bonds4

About 6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine

6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 80965540) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID80965540
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-n2cc(Cl)c(C)n2)nc(C2CC2)n1
InChIInChI=1S/C13H16ClN5/c1-3-15-11-6-12(17-13(16-11)9-4-5-9)19-7-10(14)8(2)18-19/h6-7,9H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyJTWOWMTZYFPIIR-UHFFFAOYSA-N
XLogP2.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chloropyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80966016
2-cyclopropyl-N-ethyl-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
CID 80965817
2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-N-ethylpyrimidin-4-amine
CID 80966773
2-cyclopropyl-N-ethyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-amine
CID 80966267
2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80967631
2-cyclopropyl-6-(3,5-diethylpyrazol-1-yl)-N-ethylpyrimidin-4-amine
CID 82698934
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80957024
4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80958496
6-(2-chloro-5-methylphenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965650
1-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80956690
[1-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80967620

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine (CID 80965540) is 6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine is CCNc1cc(-n2cc(Cl)c(C)n2)nc(C2CC2)n1.
What is the InChIKey of 6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is JTWOWMTZYFPIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-3-15-11-6-12(17-13(16-11)9-4-5-9)19-7-10(14)8(2)18-19/h6-7,9H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80965540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).