4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one

C13H17N3OS — CID 136974893

IUPAC4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)c2cc(C)sc2C)cc(=O)[nH]1
InChIInChI=1S/C13H17N3OS/c1-7-5-11(9(3)18-7)8(2)14-12-6-13(17)16-10(4)15-12/h5-6,8H,1-4H3,(H2,14,15,16,17)
InChIKeyLDILCQJXOWXEQW-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.93
Rot. Bonds3

About 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one

4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136974893) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136974893
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)c2cc(C)sc2C)cc(=O)[nH]1
InChIInChI=1S/C13H17N3OS/c1-7-5-11(9(3)18-7)8(2)14-12-6-13(17)16-10(4)15-12/h5-6,8H,1-4H3,(H2,14,15,16,17)
InChIKeyLDILCQJXOWXEQW-UHFFFAOYSA-N
XLogP2.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136974890
2-cyclopropyl-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974892
4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 137016292
4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974797
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112726778
4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974910
2-[6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271947
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169277
4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136957144
6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine
CID 54965289
6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715652
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 79173859

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one (CID 136974893) is 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC(C)c2cc(C)sc2C)cc(=O)[nH]1.
What is the InChIKey of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is LDILCQJXOWXEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-7-5-11(9(3)18-7)8(2)14-12-6-13(17)16-10(4)15-12/h5-6,8H,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 263.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136974893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).