2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

C17H20N6O — CID 137268792

IUPAC2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NCc3cnn(C)c3C)nc2)n1
InChIInChI=1S/C17H20N6O/c1-4-14-7-16(24)22-17(21-14)12-5-6-15(18-8-12)19-9-13-10-20-23(3)11(13)2/h5-8,10H,4,9H2,1-3H3,(H,18,19)(H,21,22,24)
InChIKeyMUAOWWNGMOKZMV-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.05
Rot. Bonds5

About 2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one

2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 137268792) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID137268792
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NCc3cnn(C)c3C)nc2)n1
InChIInChI=1S/C17H20N6O/c1-4-14-7-16(24)22-17(21-14)12-5-6-15(18-8-12)19-9-13-10-20-23(3)11(13)2/h5-8,10H,4,9H2,1-3H3,(H,18,19)(H,21,22,24)
InChIKeyMUAOWWNGMOKZMV-UHFFFAOYSA-N
XLogP2.05
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136528513
3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 137098040
2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137265053
2-[6-[(2-cyclobutyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137258186
4-ethyl-2-[6-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137263216
2-[6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268747
2-[6-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137272392
4-ethyl-2-[6-[(3-hydroxy-3-phenylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137267445
2-[6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271947
2-[6-(1,4-dithian-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271811
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine
CID 113340081
2-[6-[(3-cyclohexyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137251087

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (CID 137268792) is 2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(NCc3cnn(C)c3C)nc2)n1.
What is the InChIKey of 2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is MUAOWWNGMOKZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-4-14-7-16(24)22-17(21-14)12-5-6-15(18-8-12)19-9-13-10-20-23(3)11(13)2/h5-8,10H,4,9H2,1-3H3,(H,18,19)(H,21,22,24).
What are the key properties of 2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 324.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137268792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).