4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one

C18H27N5O — CID 169018027

IUPAC4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NCC2CCCC(C)C2)n1
InChIInChI=1S/C18H27N5O/c1-4-15-10-17(24)21-18(20-15)23-16(9-13(3)22-23)19-11-14-7-5-6-12(2)8-14/h9-10,12,14,19H,4-8,11H2,1-3H3,(H,20,21,24)
InChIKeyRYULYEYEPMQESN-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.06
Rot. Bonds5

About 4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one

4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one (PubChem CID 169018027) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one
PubChem CID169018027
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NCC2CCCC(C)C2)n1
InChIInChI=1S/C18H27N5O/c1-4-15-10-17(24)21-18(20-15)23-16(9-13(3)22-23)19-11-14-7-5-6-12(2)8-14/h9-10,12,14,19H,4-8,11H2,1-3H3,(H,20,21,24)
InChIKeyRYULYEYEPMQESN-UHFFFAOYSA-N
XLogP3.06
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one (CID 169018027) is 4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-n2nc(C)cc2NCC2CCCC(C)C2)n1.
What is the InChIKey of 4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one?
The InChIKey is RYULYEYEPMQESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-15-10-17(24)21-18(20-15)23-16(9-13(3)22-23)19-11-14-7-5-6-12(2)8-14/h9-10,12,14,19H,4-8,11H2,1-3H3,(H,20,21,24).
What are the key properties of 4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one?
4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 329.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 169018027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).