3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one

C9H15N3O2 — CID 63768141

IUPAC3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one
SMILESCCNCC(O)Cn1cnccc1=O
InChIInChI=1S/C9H15N3O2/c1-2-10-5-8(13)6-12-7-11-4-3-9(12)14/h3-4,7-8,10,13H,2,5-6H2,1H3
InChIKeyMIAGQQGLJKVPSG-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.79
Rot. Bonds5

About 3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one

3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one (PubChem CID 63768141) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one
PubChem CID63768141
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one
SMILESCCNCC(O)Cn1cnccc1=O
InChIInChI=1S/C9H15N3O2/c1-2-10-5-8(13)6-12-7-11-4-3-9(12)14/h3-4,7-8,10,13H,2,5-6H2,1H3
InChIKeyMIAGQQGLJKVPSG-UHFFFAOYSA-N
XLogP-0.79
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-Fluoro-2-hydroxypropyl)-3,4-dihydropyrimidin-4-one
CID 165787419
3-(3-Amino-2-hydroxypropyl)-6-methylpyrimidin-4-one
CID 61224563
3-[2-Hydroxy-3-(methylamino)propyl]-6-methylpyrimidin-4-one
CID 61224564
3-[3-(Ethylamino)-2-hydroxypropyl]-6-methylpyrimidin-4-one
CID 61224566
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]-6-methylpyrimidin-4-one
CID 61224752
3-[2-Hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one
CID 61224753
3-[3-(Ethylamino)propyl]pyrimidin-4-one
CID 63767956
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-(Cyclopropylamino)-2-hydroxypropyl]pyrimidin-4-one
CID 63768321

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one?
The IUPAC name of 3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one (CID 63768141) is 3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one?
The canonical SMILES for 3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one is CCNCC(O)Cn1cnccc1=O.
What is the InChIKey of 3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one?
The InChIKey is MIAGQQGLJKVPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-10-5-8(13)6-12-7-11-4-3-9(12)14/h3-4,7-8,10,13H,2,5-6H2,1H3.
What are the key properties of 3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one?
3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one has a molecular weight of 197.24 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-4-one is sourced from PubChem (CID 63768141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).