5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one

C13H19N3O — CID 114206328

IUPAC5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one
SMILESCC1(C)CC1c1ncc(CNC2CC2)c(=O)[nH]1
InChIInChI=1S/C13H19N3O/c1-13(2)5-10(13)11-15-7-8(12(17)16-11)6-14-9-3-4-9/h7,9-10,14H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyASFPVCBBORLFRQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.54
Rot. Bonds4

About 5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one

5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one (PubChem CID 114206328) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one
PubChem CID114206328
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one
SMILESCC1(C)CC1c1ncc(CNC2CC2)c(=O)[nH]1
InChIInChI=1S/C13H19N3O/c1-13(2)5-10(13)11-15-7-8(12(17)16-11)6-14-9-3-4-9/h7,9-10,14H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyASFPVCBBORLFRQ-UHFFFAOYSA-N
XLogP1.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 114206324
5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 114206320
2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114204892
N-[(2,4-dichloropyrimidin-5-yl)methyl]cyclopropanamine
CID 53385527
5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 82502898
N-[(2-cyclobutyl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 64986067
3-[(cyclopropylamino)methyl]-6-(4-nitrophenyl)-1H-pyridin-2-one
CID 82517035
5-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 114206357
3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82522704
N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 80611809
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 114206196

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one (CID 114206328) is 5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one is CC1(C)CC1c1ncc(CNC2CC2)c(=O)[nH]1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one?
The InChIKey is ASFPVCBBORLFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2)5-10(13)11-15-7-8(12(17)16-11)6-14-9-3-4-9/h7,9-10,14H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one?
5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one has a molecular weight of 233.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).