4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one

C10H11N3OS — CID 136976380

IUPAC4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ccsc1CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H11N3OS/c1-7-2-3-15-8(7)5-11-9-4-10(14)13-6-12-9/h2-4,6H,5H2,1H3,(H2,11,12,13,14)
InChIKeyZLSFJWPSUZQSQO-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.75
Rot. Bonds3

About 4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one

4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976380) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976380
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1ccsc1CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H11N3OS/c1-7-2-3-15-8(7)5-11-9-4-10(14)13-6-12-9/h2-4,6H,5H2,1H3,(H2,11,12,13,14)
InChIKeyZLSFJWPSUZQSQO-UHFFFAOYSA-N
XLogP1.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromothiophen-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136976446
N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 78954788
5-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112730229
4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973640
5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 115750019
4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973753
4-[(2,5-difluorophenyl)methylamino]-1H-pyrimidin-6-one
CID 136975723
2-N-methyl-6-N-[(3-methylthiophen-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785676
4-(methylamino)-1H-pyrimidin-6-one
CID 135481447
2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958954
4-[(1-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136956636
4-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136743847

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136976380) is 4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one is Cc1ccsc1CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is ZLSFJWPSUZQSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-2-3-15-8(7)5-11-9-4-10(14)13-6-12-9/h2-4,6H,5H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one?
4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 221.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).