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

C10H17N3O2 — CID 63794384

IUPAC3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCOCC(C)NCCn1cnccc1=O
InChIInChI=1S/C10H17N3O2/c1-9(7-15-2)12-5-6-13-8-11-4-3-10(13)14/h3-4,8-9,12H,5-7H2,1-2H3
InChIKeyYDYKEFSHLGLNGL-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.13
Rot. Bonds6

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

3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one (PubChem CID 63794384) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one
PubChem CID63794384
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCOCC(C)NCCn1cnccc1=O
InChIInChI=1S/C10H17N3O2/c1-9(7-15-2)12-5-6-13-8-11-4-3-10(13)14/h3-4,8-9,12H,5-7H2,1-2H3
InChIKeyYDYKEFSHLGLNGL-UHFFFAOYSA-N
XLogP-0.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one (CID 63794384) is 3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one is COCC(C)NCCn1cnccc1=O.
What is the InChIKey of 3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one?
The InChIKey is YDYKEFSHLGLNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-9(7-15-2)12-5-6-13-8-11-4-3-10(13)14/h3-4,8-9,12H,5-7H2,1-2H3.
What are the key properties of 3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one?
3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one has a molecular weight of 211.26 g/mol, XLogP of -0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methoxypropan-2-ylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63794384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).