2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one

C11H18N4O2 — CID 102549316

IUPAC2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one
SMILESCOCc1cc(=O)n(C)c(N2CCC(N)C2)n1
InChIInChI=1S/C11H18N4O2/c1-14-10(16)5-9(7-17-2)13-11(14)15-4-3-8(12)6-15/h5,8H,3-4,6-7,12H2,1-2H3
InChIKeyXRXVPJKWJUHNDX-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.54
Rot. Bonds3

About 2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one

2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one (PubChem CID 102549316) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one
PubChem CID102549316
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one
SMILESCOCc1cc(=O)n(C)c(N2CCC(N)C2)n1
InChIInChI=1S/C11H18N4O2/c1-14-10(16)5-9(7-17-2)13-11(14)15-4-3-8(12)6-15/h5,8H,3-4,6-7,12H2,1-2H3
InChIKeyXRXVPJKWJUHNDX-UHFFFAOYSA-N
XLogP-0.54
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-amine
CID 56768103
1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine
CID 106552458
1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine
CID 106552448
6-(methoxymethyl)-3-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-one
CID 53200998
(3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine
CID 130905710
(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 136582876
4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine
CID 66740107
1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24963342
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
3-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 133402713
1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106552451
1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine
CID 106552794

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one (CID 102549316) is 2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one is COCc1cc(=O)n(C)c(N2CCC(N)C2)n1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one?
The InChIKey is XRXVPJKWJUHNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14-10(16)5-9(7-17-2)13-11(14)15-4-3-8(12)6-15/h5,8H,3-4,6-7,12H2,1-2H3.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one?
2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one has a molecular weight of 238.29 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 102549316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).