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

C13H20N4O — CID 136794225

IUPAC4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC1(CN)CCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C13H20N4O/c1-13(7-14)4-5-17(8-13)10-6-11(18)16-12(15-10)9-2-3-9/h6,9H,2-5,7-8,14H2,1H3,(H,15,16,18)
InChIKeyOCLRTRNUGSLODS-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.82
Rot. Bonds3

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

4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136794225) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136794225
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC1(CN)CCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C13H20N4O/c1-13(7-14)4-5-17(8-13)10-6-11(18)16-12(15-10)9-2-3-9/h6,9H,2-5,7-8,14H2,1H3,(H,15,16,18)
InChIKeyOCLRTRNUGSLODS-UHFFFAOYSA-N
XLogP0.82
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.82
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-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136232151
2-cyclopropyl-4-(ethylamino)-1H-pyrimidin-6-one
CID 136294352
2-cyclopropyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294353
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
2-(3-aminopropyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136314514

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136794225) is 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one is CC1(CN)CCN(c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is OCLRTRNUGSLODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-13(7-14)4-5-17(8-13)10-6-11(18)16-12(15-10)9-2-3-9/h6,9H,2-5,7-8,14H2,1H3,(H,15,16,18).
What are the key properties of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 0.82, 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-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136794225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).