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

C13H19N3O2 — CID 114206310

IUPAC5-[(cyclopropylamino)methyl]-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCOC1(c2ncc(CNC3CC3)c(=O)[nH]2)CCC1
InChIInChI=1S/C13H19N3O2/c1-18-13(5-2-6-13)12-15-8-9(11(17)16-12)7-14-10-3-4-10/h8,10,14H,2-7H2,1H3,(H,15,16,17)
InChIKeyGVKNTYVYRHTXPZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.05
Rot. Bonds5

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

5-[(cyclopropylamino)methyl]-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (PubChem CID 114206310) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
PubChem CID114206310
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-[(cyclopropylamino)methyl]-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCOC1(c2ncc(CNC3CC3)c(=O)[nH]2)CCC1
InChIInChI=1S/C13H19N3O2/c1-18-13(5-2-6-13)12-15-8-9(11(17)16-12)7-14-10-3-4-10/h8,10,14H,2-7H2,1H3,(H,15,16,17)
InChIKeyGVKNTYVYRHTXPZ-UHFFFAOYSA-N
XLogP1.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxypentan-3-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206193
2-(2-ethoxybutan-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206217
5-(ethylaminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 114206237
2-[cyclopropyl(ethoxy)methyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206254
2-(1-methoxycyclobutyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206260
2-[cyclopropyl(methoxy)methyl]-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206278
2-(1-methoxybutyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206304
2-(1-methoxypropyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206309
5-[(cyclopropylamino)methyl]-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 114206315
5-[(cyclopropylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 114206316
5-[(cyclopropylamino)methyl]-2-(1-methoxy-2-methylpropyl)-1H-pyrimidin-6-one
CID 114206318
5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 114206324

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-[(cyclopropylamino)methyl]-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (CID 114206310) is 5-[(cyclopropylamino)methyl]-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one is COC1(c2ncc(CNC3CC3)c(=O)[nH]2)CCC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The InChIKey is GVKNTYVYRHTXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13(5-2-6-13)12-15-8-9(11(17)16-12)7-14-10-3-4-10/h8,10,14H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 5-[(cyclopropylamino)methyl]-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
5-[(cyclopropylamino)methyl]-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).