4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one

C13H22N4O — CID 136794224

IUPAC4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC(C)(CN)C2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-9(2)12-15-10(6-11(18)16-12)17-5-4-13(3,7-14)8-17/h6,9H,4-5,7-8,14H2,1-3H3,(H,15,16,18)
InChIKeyRWLDUIWRQOMNSC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.07
Rot. Bonds3

About 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one

4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136794224) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136794224
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC(C)(CN)C2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-9(2)12-15-10(6-11(18)16-12)17-5-4-13(3,7-14)8-17/h6,9H,4-5,7-8,14H2,1-3H3,(H,15,16,18)
InChIKeyRWLDUIWRQOMNSC-UHFFFAOYSA-N
XLogP1.07
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136956171
2-ethyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974111
4-amino-2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 173826212
2-(2-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687779
2-(Azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84697781
2-(3-Aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84699556
2-propan-2-yl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294351
2-(azetidin-3-yl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136314485
4-(dimethylamino)-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136314511
4-(dimethylamino)-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136314512
2-(3-aminopropyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136314514
2-(3-aminopropyl)-4-(dimethylamino)-1H-pyrimidin-6-one
CID 136316813

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136794224) is 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCC(C)(CN)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is RWLDUIWRQOMNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)12-15-10(6-11(18)16-12)17-5-4-13(3,7-14)8-17/h6,9H,4-5,7-8,14H2,1-3H3,(H,15,16,18).
What are the key properties of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136794224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).