4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one

C9H11N3O2 — CID 137147273

IUPAC4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]cn1)N1CCCC1
InChIInChI=1S/C9H11N3O2/c13-8-5-7(10-6-11-8)9(14)12-3-1-2-4-12/h5-6H,1-4H2,(H,10,11,13)
InChIKeyBEXNOWOWMHBVPC-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.01
Rot. Bonds1

About 4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one

4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 137147273) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID137147273
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]cn1)N1CCCC1
InChIInChI=1S/C9H11N3O2/c13-8-5-7(10-6-11-8)9(14)12-3-1-2-4-12/h5-6H,1-4H2,(H,10,11,13)
InChIKeyBEXNOWOWMHBVPC-UHFFFAOYSA-N
XLogP0.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 137147367
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147286
cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid
CID 175268591
ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate
CID 137147280
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147289
4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147360
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147424
N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide
CID 138037299
4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 154583725
4-[4-[(R)-amino-(4,5-dichloro-2-hydroxycyclohexyl)methyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 167323552
6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid
CID 83707447
4-[3-[1-[(E)-3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enoyl]azepan-3-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one
CID 167821896

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one (CID 137147273) is 4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one is O=C(c1cc(=O)[nH]cn1)N1CCCC1.
What is the InChIKey of 4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is BEXNOWOWMHBVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-8-5-7(10-6-11-8)9(14)12-3-1-2-4-12/h5-6H,1-4H2,(H,10,11,13).
What are the key properties of 4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one?
4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 193.21 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137147273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).