3-(3-amino-2-ethoxypropyl)pyrimidin-4-one

C9H15N3O2 — CID 63769863

IUPAC3-(3-amino-2-ethoxypropyl)pyrimidin-4-one
SMILESCCOC(CN)Cn1cnccc1=O
InChIInChI=1S/C9H15N3O2/c1-2-14-8(5-10)6-12-7-11-4-3-9(12)13/h3-4,7-8H,2,5-6,10H2,1H3
InChIKeyHHXUAXVUFKGJAB-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.39
Rot. Bonds5

About 3-(3-amino-2-ethoxypropyl)pyrimidin-4-one

3-(3-amino-2-ethoxypropyl)pyrimidin-4-one (PubChem CID 63769863) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(3-amino-2-ethoxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-amino-2-ethoxypropyl)pyrimidin-4-one
PubChem CID63769863
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(3-amino-2-ethoxypropyl)pyrimidin-4-one
SMILESCCOC(CN)Cn1cnccc1=O
InChIInChI=1S/C9H15N3O2/c1-2-14-8(5-10)6-12-7-11-4-3-9(12)13/h3-4,7-8H,2,5-6,10H2,1H3
InChIKeyHHXUAXVUFKGJAB-UHFFFAOYSA-N
XLogP-0.39
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525168
3-[2-(3-Propan-2-yloxypropylamino)ethyl]pyrimidin-4-one
CID 55236851
3-(3-Amino-2-ethoxypropyl)-6-methylpyrimidin-4-one
CID 63071210
3-[3-(Ethylamino)-2-hydroxypropyl]pyrimidin-4-one
CID 63768141
3-[2-Hydroxy-3-(methylamino)propyl]pyrimidin-4-one
CID 63768142
3-[2-Hydroxy-3-(propylamino)propyl]pyrimidin-4-one
CID 63768143
3-(3-Amino-2-hydroxypropyl)pyrimidin-4-one
CID 63768319
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one
CID 63768320
3-[3-(2-Methoxyethylamino)propyl]pyrimidin-4-one
CID 63768489
3-(4-Amino-3-ethoxybutyl)pyrimidin-4-one
CID 63769685
3-[2-(2-Ethoxyethylamino)ethyl]pyrimidin-4-one
CID 63793493
3-[4-(2-Methoxyethylamino)butyl]pyrimidin-4-one
CID 63794386

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-ethoxypropyl)pyrimidin-4-one?
The IUPAC name of 3-(3-amino-2-ethoxypropyl)pyrimidin-4-one (CID 63769863) is 3-(3-amino-2-ethoxypropyl)pyrimidin-4-one.
What is the SMILES notation for 3-(3-amino-2-ethoxypropyl)pyrimidin-4-one?
The canonical SMILES for 3-(3-amino-2-ethoxypropyl)pyrimidin-4-one is CCOC(CN)Cn1cnccc1=O.
What is the InChIKey of 3-(3-amino-2-ethoxypropyl)pyrimidin-4-one?
The InChIKey is HHXUAXVUFKGJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-14-8(5-10)6-12-7-11-4-3-9(12)13/h3-4,7-8H,2,5-6,10H2,1H3.
What are the key properties of 3-(3-amino-2-ethoxypropyl)pyrimidin-4-one?
3-(3-amino-2-ethoxypropyl)pyrimidin-4-one has a molecular weight of 197.24 g/mol, XLogP of -0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-ethoxypropyl)pyrimidin-4-one is sourced from PubChem (CID 63769863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).