4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one

C24H25N5OS — CID 137268356

IUPAC4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC(C)c3sc(-c4ccc(C)cc4)nc3C)nc2)n1
InChIInChI=1S/C24H25N5OS/c1-5-19-12-21(30)29-23(28-19)18-10-11-20(25-13-18)26-15(3)22-16(4)27-24(31-22)17-8-6-14(2)7-9-17/h6-13,15H,5H2,1-4H3,(H,25,26)(H,28,29,30)
InChIKeyJUUZKANVDFLAQM-UHFFFAOYSA-N
MW431.57 g/mol
LogP5.31
Rot. Bonds6

About 4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one

4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137268356) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is 4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137268356
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC Name4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC(C)c3sc(-c4ccc(C)cc4)nc3C)nc2)n1
InChIInChI=1S/C24H25N5OS/c1-5-19-12-21(30)29-23(28-19)18-10-11-20(25-13-18)26-15(3)22-16(4)27-24(31-22)17-8-6-14(2)7-9-17/h6-13,15H,5H2,1-4H3,(H,25,26)(H,28,29,30)
InChIKeyJUUZKANVDFLAQM-UHFFFAOYSA-N
XLogP5.31
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.57
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268262
(2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 137098081
2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136528513
(2S)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 137098069
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
2-[6-(1,4-dithian-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271811

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137268356) is 4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(NC(C)c3sc(-c4ccc(C)cc4)nc3C)nc2)n1.
What is the InChIKey of 4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is JUUZKANVDFLAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-5-19-12-21(30)29-23(28-19)18-10-11-20(25-13-18)26-15(3)22-16(4)27-24(31-22)17-8-6-14(2)7-9-17/h6-13,15H,5H2,1-4H3,(H,25,26)(H,28,29,30).
What are the key properties of 4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[6-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 431.57 g/mol, XLogP of 5.31, 6 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-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137268356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).