3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one

C11H17N3O — CID 63794206

IUPAC3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one
SMILESCC(NCCn1cnccc1=O)C1CC1
InChIInChI=1S/C11H17N3O/c1-9(10-2-3-10)13-6-7-14-8-12-5-4-11(14)15/h4-5,8-10,13H,2-3,6-7H2,1H3
InChIKeyZTDJAEGOJVLPFL-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.63
Rot. Bonds5

About 3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one

3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one (PubChem CID 63794206) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one
PubChem CID63794206
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one
SMILESCC(NCCn1cnccc1=O)C1CC1
InChIInChI=1S/C11H17N3O/c1-9(10-2-3-10)13-6-7-14-8-12-5-4-11(14)15/h4-5,8-10,13H,2-3,6-7H2,1H3
InChIKeyZTDJAEGOJVLPFL-UHFFFAOYSA-N
XLogP0.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one (CID 63794206) is 3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one is CC(NCCn1cnccc1=O)C1CC1.
What is the InChIKey of 3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one?
The InChIKey is ZTDJAEGOJVLPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(10-2-3-10)13-6-7-14-8-12-5-4-11(14)15/h4-5,8-10,13H,2-3,6-7H2,1H3.
What are the key properties of 3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one?
3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-cyclopropylethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63794206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).