2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one

C10H11N3O — CID 136770537

IUPAC2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccc[nH]2)cc(=O)[nH]1
InChIInChI=1S/C10H11N3O/c1-2-9-12-8(6-10(14)13-9)7-4-3-5-11-7/h3-6,11H,2H2,1H3,(H,12,13,14)
InChIKeyOAUUFMBVZXTLOG-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.33
Rot. Bonds2

About 2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one

2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one (PubChem CID 136770537) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
PubChem CID136770537
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccc[nH]2)cc(=O)[nH]1
InChIInChI=1S/C10H11N3O/c1-2-9-12-8(6-10(14)13-9)7-4-3-5-11-7/h3-6,11H,2H2,1H3,(H,12,13,14)
InChIKeyOAUUFMBVZXTLOG-UHFFFAOYSA-N
XLogP1.33
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136955770
2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 136692389
2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one
CID 136692914
2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137068959
4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136691860
4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136986671
2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
CID 136731230
2-ethyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136823700
4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136770020
4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136955750
4-[(2,5-dimethylpyrrol-1-yl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136976280
2-ethyl-5-(1H-pyrrol-2-yl)pyrazine
CID 160769784

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one (CID 136770537) is 2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one is CCc1nc(-c2ccc[nH]2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is OAUUFMBVZXTLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-9-12-8(6-10(14)13-9)7-4-3-5-11-7/h3-6,11H,2H2,1H3,(H,12,13,14).
What are the key properties of 2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one?
2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 189.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136770537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).