2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

C20H24N6O — CID 137265053

IUPAC2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NCc3ccn(C4CCCC4)n3)nc2)n1
InChIInChI=1S/C20H24N6O/c1-2-15-11-19(27)24-20(23-15)14-7-8-18(21-12-14)22-13-16-9-10-26(25-16)17-5-3-4-6-17/h7-12,17H,2-6,13H2,1H3,(H,21,22)(H,23,24,27)
InChIKeyNHZFIWRAPAVQJV-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.32
Rot. Bonds6

About 2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 137265053) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID137265053
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NCc3ccn(C4CCCC4)n3)nc2)n1
InChIInChI=1S/C20H24N6O/c1-2-15-11-19(27)24-20(23-15)14-7-8-18(21-12-14)22-13-16-9-10-26(25-16)17-5-3-4-6-17/h7-12,17H,2-6,13H2,1H3,(H,21,22)(H,23,24,27)
InChIKeyNHZFIWRAPAVQJV-UHFFFAOYSA-N
XLogP3.32
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268792
2-[6-[(2-cyclobutyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137258186
2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137251087
2-[6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268747
2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136528513
4-ethyl-2-[6-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137263216
4-ethyl-2-[6-[2-[(2S)-oxolan-2-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 136714200
4-ethyl-2-[6-[(3-methoxycyclohexyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268740
3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 137098040
2-[6-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137272392
2-[6-(1,4-dithian-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271811
4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 136667097

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (CID 137265053) is 2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(NCc3ccn(C4CCCC4)n3)nc2)n1.
What is the InChIKey of 2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is NHZFIWRAPAVQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-2-15-11-19(27)24-20(23-15)14-7-8-18(21-12-14)22-13-16-9-10-26(25-16)17-5-3-4-6-17/h7-12,17H,2-6,13H2,1H3,(H,21,22)(H,23,24,27).
What are the key properties of 2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 364.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137265053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).