2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one

C13H19N3O2 — CID 136786682

IUPAC2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCC2CCOC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O2/c17-12-7-11(15-13(16-12)10-1-2-10)14-5-3-9-4-6-18-8-9/h7,9-10H,1-6,8H2,(H2,14,15,16,17)
InChIKeyNRYLFIJPBTUMHV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.49
Rot. Bonds5

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

2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136786682) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136786682
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCC2CCOC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O2/c17-12-7-11(15-13(16-12)10-1-2-10)14-5-3-9-4-6-18-8-9/h7,9-10H,1-6,8H2,(H2,14,15,16,17)
InChIKeyNRYLFIJPBTUMHV-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
5-cyclopropyl-N-[2-(oxolan-3-yl)ethyl]-1H-1,2,4-triazol-3-amine
CID 154783273
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974135
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974636
5-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958938
2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one
CID 137016082
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one (CID 136786682) is 2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one is O=c1cc(NCCC2CCOC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is NRYLFIJPBTUMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12-7-11(15-13(16-12)10-1-2-10)14-5-3-9-4-6-18-8-9/h7,9-10H,1-6,8H2,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136786682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).