5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C12H19N3O — CID 156711802

IUPAC5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCCCCc1cnc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C12H19N3O/c1-2-3-6-10-9-13-12(14-11(10)16)15-7-4-5-8-15/h9H,2-8H2,1H3,(H,13,14,16)
InChIKeyHOPIRNFMFNUCTM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.71
Rot. Bonds4

About 5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 156711802) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID156711802
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCCCCc1cnc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C12H19N3O/c1-2-3-6-10-9-13-12(14-11(10)16)15-7-4-5-8-15/h9H,2-8H2,1H3,(H,13,14,16)
InChIKeyHOPIRNFMFNUCTM-UHFFFAOYSA-N
XLogP1.71
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-6-methyl-2-tetrahydro-1H-pyrrol-1-ylpyrimidin-4-ol
CID 135418935
4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135473139
4(1H)-Pyrimidinone, 2-amino-5-butyl-
CID 147276
4(1H)-Pyrimidinone, 2-amino-5-hexyl-
CID 147277
4(1H)-Pyrimidinone, 2-amino-5-octyl-
CID 147278
5-butyl-2-(ethylamino)-1H-pyrimidin-6-one
CID 21488451
2-(diethylamino)-5-ethyl-1H-pyrimidin-6-one
CID 58091021
2-(dimethylamino)-5-(2-methylbutyl)-1H-pyrimidin-6-one
CID 70593711
5-butan-2-yl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 139525587
2-(3-azabicyclo[3.1.0]hexan-3-yl)-5-butan-2-yl-1H-pyrimidin-6-one
CID 139525714
5-butan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 139525823
5-Butyl-2-(dimethylamino)-4(3H)-pyrimidinone
CID 141231213

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 156711802) is 5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is CCCCc1cnc(N2CCCC2)[nH]c1=O.
What is the InChIKey of 5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is HOPIRNFMFNUCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-3-6-10-9-13-12(14-11(10)16)15-7-4-5-8-15/h9H,2-8H2,1H3,(H,13,14,16).
What are the key properties of 5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 156711802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).