2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one

C13H19N3O2 — CID 136905787

IUPAC2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1OCCC1CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H19N3O2/c1-8-10(4-5-18-8)7-14-11-6-12(17)16-13(15-11)9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H2,14,15,16,17)
InChIKeyJXQBETSWAIHVNJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.48
Rot. Bonds4

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

2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136905787) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136905787
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1OCCC1CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H19N3O2/c1-8-10(4-5-18-8)7-14-11-6-12(17)16-13(15-11)9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H2,14,15,16,17)
InChIKeyJXQBETSWAIHVNJ-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136675576
2-cyclopropyl-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136675578
2-cyclopropyl-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696619
2-cyclopropyl-4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696628
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723601
2-cyclopropyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723602
2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738998
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136756214
2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756216
2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764968
2-cyclopropyl-4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764977

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136905787) is 2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is CC1OCCC1CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is JXQBETSWAIHVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-10(4-5-18-8)7-14-11-6-12(17)16-13(15-11)9-2-3-9/h6,8-10H,2-5,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136905787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).