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

C12H16N4OS — CID 137016410

IUPAC2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCCc2nc(C)cs2)cc(=O)[nH]1
InChIInChI=1S/C12H16N4OS/c1-3-9-15-10(6-11(17)16-9)13-5-4-12-14-8(2)7-18-12/h6-7H,3-5H2,1-2H3,(H2,13,15,16,17)
InChIKeyWJSOYVWTFNWWNE-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.75
Rot. Bonds5

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

2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 137016410) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID137016410
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCCc1nc(NCCc2nc(C)cs2)cc(=O)[nH]1
InChIInChI=1S/C12H16N4OS/c1-3-9-15-10(6-11(17)16-9)13-5-4-12-14-8(2)7-18-12/h6-7H,3-5H2,1-2H3,(H2,13,15,16,17)
InChIKeyWJSOYVWTFNWWNE-UHFFFAOYSA-N
XLogP1.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
2-ethyl-4-[2-(1H-imidazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 137016687
2-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975306
4-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzoic acid
CID 136958484
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133
2-ethyl-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902417
2-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
CID 136975649
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate
CID 136976721
ethyl 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136959024
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one
CID 104788498
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 78929804

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 137016410) is 2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one is CCc1nc(NCCc2nc(C)cs2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is WJSOYVWTFNWWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-9-15-10(6-11(17)16-9)13-5-4-12-14-8(2)7-18-12/h6-7H,3-5H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 264.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137016410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).