5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one

C13H19N3O2 — CID 114206334

IUPAC5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCOCC2)ncc1CNC1CC1
InChIInChI=1S/C13H19N3O2/c17-13-10(7-14-11-1-2-11)8-15-12(16-13)9-3-5-18-6-4-9/h8-9,11,14H,1-7H2,(H,15,16,17)
InChIKeyPJRNBHVTYNLRDR-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.92
Rot. Bonds4

About 5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one

5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one (PubChem CID 114206334) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
PubChem CID114206334
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCOCC2)ncc1CNC1CC1
InChIInChI=1S/C13H19N3O2/c17-13-10(7-14-11-1-2-11)8-15-12(16-13)9-3-5-18-6-4-9/h8-9,11,14H,1-7H2,(H,15,16,17)
InChIKeyPJRNBHVTYNLRDR-UHFFFAOYSA-N
XLogP0.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 84121099
5-(2-aminoethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 84131865
5-(methylaminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 84131866
5-[2-(methylamino)ethyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 84148243
2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206286
5-[(cyclopropylamino)methyl]-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 114206321
2-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 114206367
2-cyclopropyl-6-oxo-N-[2-(tetrahydro-2H-pyran-3-yl)ethyl]-1,6-dihydropyrimidine-5-carboxamide
CID 122564127
2-cyclopropyl-N-[2-[(3S)-oxan-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 125441638
2-cyclopropyl-N-[2-[(3R)-oxan-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 125441639
5-(aminomethyl)-4-methyl-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136314046
4-methyl-5-(methylaminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136322869

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one (CID 114206334) is 5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one is O=c1[nH]c(C2CCOCC2)ncc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is PJRNBHVTYNLRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13-10(7-14-11-1-2-11)8-15-12(16-13)9-3-5-18-6-4-9/h8-9,11,14H,1-7H2,(H,15,16,17).
What are the key properties of 5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one?
5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).