1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide

C14H18N6O — CID 80988659

IUPAC1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide
SMILESCCNc1nc(C2CC2)nc(-n2cc(C(N)=O)cn2)c1C
InChIInChI=1S/C14H18N6O/c1-3-16-12-8(2)14(19-13(18-12)9-4-5-9)20-7-10(6-17-20)11(15)21/h6-7,9H,3-5H2,1-2H3,(H2,15,21)(H,16,18,19)
InChIKeyKTJLMHOCTXPUCC-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.38
Rot. Bonds5

About 1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide

1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide (PubChem CID 80988659) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide
PubChem CID80988659
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide
SMILESCCNc1nc(C2CC2)nc(-n2cc(C(N)=O)cn2)c1C
InChIInChI=1S/C14H18N6O/c1-3-16-12-8(2)14(19-13(18-12)9-4-5-9)20-7-10(6-17-20)11(15)21/h6-7,9H,3-5H2,1-2H3,(H2,15,21)(H,16,18,19)
InChIKeyKTJLMHOCTXPUCC-UHFFFAOYSA-N
XLogP1.38
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 80978004
1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 80989030
2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80980816
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanamide
CID 80982786
2-cyclopropyl-N-ethyl-5-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80981359
6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80982039
2-cyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80984725
2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80988896
2-cyclopropyl-6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992120
2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992622
1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide
CID 103331164
3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80984218

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide (CID 80988659) is 1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide is CCNc1nc(C2CC2)nc(-n2cc(C(N)=O)cn2)c1C.
What is the InChIKey of 1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is KTJLMHOCTXPUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-3-16-12-8(2)14(19-13(18-12)9-4-5-9)20-7-10(6-17-20)11(15)21/h6-7,9H,3-5H2,1-2H3,(H2,15,21)(H,16,18,19).
What are the key properties of 1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide?
1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 80988659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).