4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one

C17H19N5OS — CID 137268262

IUPAC4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC(C)c3nc(C)cs3)nc2)n1
InChIInChI=1S/C17H19N5OS/c1-4-13-7-15(23)22-16(21-13)12-5-6-14(18-8-12)20-11(3)17-19-10(2)9-24-17/h5-9,11H,4H2,1-3H3,(H,18,20)(H,21,22,23)
InChIKeyBCJZKRWCSLUNRK-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.33
Rot. Bonds5

About 4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one

4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137268262) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137268262
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC(C)c3nc(C)cs3)nc2)n1
InChIInChI=1S/C17H19N5OS/c1-4-13-7-15(23)22-16(21-13)12-5-6-14(18-8-12)20-11(3)17-19-10(2)9-24-17/h5-9,11H,4H2,1-3H3,(H,18,20)(H,21,22,23)
InChIKeyBCJZKRWCSLUNRK-UHFFFAOYSA-N
XLogP3.33
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271947
4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268356
(2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 137098081
(2S)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 137098069
2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136528513
2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268792
2-[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137257636
2-[6-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137258212
3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 137098040
2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 167837262
4-ethyl-2-[6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137267408
4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975958

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137268262) is 4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(NC(C)c3nc(C)cs3)nc2)n1.
What is the InChIKey of 4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is BCJZKRWCSLUNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-4-13-7-15(23)22-16(21-13)12-5-6-14(18-8-12)20-11(3)17-19-10(2)9-24-17/h5-9,11H,4H2,1-3H3,(H,18,20)(H,21,22,23).
What are the key properties of 4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 341.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137268262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).