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

C18H20N4OS — CID 136528513

IUPAC2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NCc3cc(C)sc3C)nc2)n1
InChIInChI=1S/C18H20N4OS/c1-4-15-8-17(23)22-18(21-15)13-5-6-16(19-9-13)20-10-14-7-11(2)24-12(14)3/h5-9H,4,10H2,1-3H3,(H,19,20)(H,21,22,23)
InChIKeyAXKZPQQVMMBLIF-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.68
Rot. Bonds5

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

2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136528513) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID136528513
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NCc3cc(C)sc3C)nc2)n1
InChIInChI=1S/C18H20N4OS/c1-4-15-8-17(23)22-18(21-15)13-5-6-16(19-9-13)20-10-14-7-11(2)24-12(14)3/h5-9H,4,10H2,1-3H3,(H,19,20)(H,21,22,23)
InChIKeyAXKZPQQVMMBLIF-UHFFFAOYSA-N
XLogP3.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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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-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271947
3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 137098040
(2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 137098081
2-[6-[(2-cyclobutyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137258186
2-[6-(1,4-dithian-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271811
2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137265053
4-ethyl-2-[6-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137263216
4-ethyl-2-[6-[(3-hydroxy-3-phenylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137267445
4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268262
4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268356
4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137273710

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one (CID 136528513) is 2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(NCc3cc(C)sc3C)nc2)n1.
What is the InChIKey of 2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is AXKZPQQVMMBLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-4-15-8-17(23)22-18(21-15)13-5-6-16(19-9-13)20-10-14-7-11(2)24-12(14)3/h5-9H,4,10H2,1-3H3,(H,19,20)(H,21,22,23).
What are the key properties of 2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one?
2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 340.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136528513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).