4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one

C9H14N4O — CID 136677210

IUPAC4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]cn2)CC1N
InChIInChI=1S/C9H14N4O/c1-6-3-13(4-7(6)10)8-2-9(14)12-5-11-8/h2,5-7H,3-4,10H2,1H3,(H,11,12,14)
InChIKeyLAYWEDXDRZUJQB-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.45
Rot. Bonds1

About 4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one

4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136677210) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136677210
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]cn2)CC1N
InChIInChI=1S/C9H14N4O/c1-6-3-13(4-7(6)10)8-2-9(14)12-5-11-8/h2,5-7H,3-4,10H2,1H3,(H,11,12,14)
InChIKeyLAYWEDXDRZUJQB-UHFFFAOYSA-N
XLogP-0.45
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136956173
4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136454963
4-(3,3-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136462243
4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136957359
6-(3,6-Diazabicyclo[3.2.1]octan-6-yl)-3-methylpyrimidin-4-one
CID 139427171
4-amino-2-(3,6-diazabicyclo[3.2.0]heptan-6-yl)-1H-pyrimidin-6-one
CID 173826245
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one hydrochloride
CID 136562356
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136562357
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672455
4-(3-amino-4-methylpyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136677202
4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136677203
5-amino-4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136677204

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136677210) is 4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one is CC1CN(c2cc(=O)[nH]cn2)CC1N.
What is the InChIKey of 4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is LAYWEDXDRZUJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-3-13(4-7(6)10)8-2-9(14)12-5-11-8/h2,5-7H,3-4,10H2,1H3,(H,11,12,14).
What are the key properties of 4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136677210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).