3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one

C10H15N3O — CID 65479965

IUPAC3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one
SMILESNCCC1(Cn2cnccc2=O)CC1
InChIInChI=1S/C10H15N3O/c11-5-4-10(2-3-10)7-13-8-12-6-1-9(13)14/h1,6,8H,2-5,7,11H2
InChIKeyXMTUMYPTFQUQJD-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.37
Rot. Bonds4

About 3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one

3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one (PubChem CID 65479965) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one
PubChem CID65479965
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one
SMILESNCCC1(Cn2cnccc2=O)CC1
InChIInChI=1S/C10H15N3O/c11-5-4-10(2-3-10)7-13-8-12-6-1-9(13)14/h1,6,8H,2-5,7,11H2
InChIKeyXMTUMYPTFQUQJD-UHFFFAOYSA-N
XLogP0.37
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one (CID 65479965) is 3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one is NCCC1(Cn2cnccc2=O)CC1.
What is the InChIKey of 3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one?
The InChIKey is XMTUMYPTFQUQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-5-4-10(2-3-10)7-13-8-12-6-1-9(13)14/h1,6,8H,2-5,7,11H2.
What are the key properties of 3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one?
3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one has a molecular weight of 193.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-aminoethyl)cyclopropyl]methyl]pyrimidin-4-one is sourced from PubChem (CID 65479965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).