4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile

C15H19N7 — CID 95219965

IUPAC4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
SMILESCCc1cn[nH]c1[C@@H]1CCCN(c2ncc(C#N)c(N)n2)C1
InChIInChI=1S/C15H19N7/c1-2-10-8-19-21-13(10)11-4-3-5-22(9-11)15-18-7-12(6-16)14(17)20-15/h7-8,11H,2-5,9H2,1H3,(H,19,21)(H2,17,18,20)/t11-/m1/s1
InChIKeyRJQMUFAYJDTZLM-LLVKDONJSA-N
MW297.37 g/mol
LogP1.60
Rot. Bonds3

About 4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile

4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile (PubChem CID 95219965) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
PubChem CID95219965
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
SMILESCCc1cn[nH]c1[C@@H]1CCCN(c2ncc(C#N)c(N)n2)C1
InChIInChI=1S/C15H19N7/c1-2-10-8-19-21-13(10)11-4-3-5-22(9-11)15-18-7-12(6-16)14(17)20-15/h7-8,11H,2-5,9H2,1H3,(H,19,21)(H2,17,18,20)/t11-/m1/s1
InChIKeyRJQMUFAYJDTZLM-LLVKDONJSA-N
XLogP1.60
TPSA107.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-amino-2-[(3R)-3-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
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4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
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2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-5-nitropyrimidin-4-amine
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1-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
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4-amino-2-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)pyrimidine-5-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile (CID 95219965) is 4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile is CCc1cn[nH]c1[C@@H]1CCCN(c2ncc(C#N)c(N)n2)C1.
What is the InChIKey of 4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile?
The InChIKey is RJQMUFAYJDTZLM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N7/c1-2-10-8-19-21-13(10)11-4-3-5-22(9-11)15-18-7-12(6-16)14(17)20-15/h7-8,11H,2-5,9H2,1H3,(H,19,21)(H2,17,18,20)/t11-/m1/s1.
What are the key properties of 4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile?
4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile has a molecular weight of 297.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 95219965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).