1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-one

C9H15N3O2 — CID 43165933

IUPAC1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-one
SMILESCCNCC(O)Cn1cccnc1=O
InChIInChI=1S/C9H15N3O2/c1-2-10-6-8(13)7-12-5-3-4-11-9(12)14/h3-5,8,10,13H,2,6-7H2,1H3
InChIKeyICFCATCNZONDES-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.79
Rot. Bonds5

About 1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-one

1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-one (PubChem CID 43165933) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-one
PubChem CID43165933
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-one
SMILESCCNCC(O)Cn1cccnc1=O
InChIInChI=1S/C9H15N3O2/c1-2-10-6-8(13)7-12-5-3-4-11-9(12)14/h3-5,8,10,13H,2,6-7H2,1H3
InChIKeyICFCATCNZONDES-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

N-2-hydroxypropyl-pyrimidinone
CID 60878763
N-(2-hydroxyethyl)-2H-pyrimidine-1-carboxamide
CID 158640583
1-(3-Amino-2-hydroxypropyl)pyrimidin-2-one
CID 16784985
1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one
CID 30077824
1-[3-(Cyclopropylamino)-2-hydroxypropyl]pyrimidin-2-one
CID 43165930
1-[2-Hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-2-one
CID 43165931
1-[2-Hydroxy-3-(propylamino)propyl]pyrimidin-2-one
CID 43165932
1-[2-Hydroxy-3-(methylamino)propyl]pyrimidin-2-one
CID 43187947
N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428137
1-(2-Hydroxybutyl)pyrimidin-2-one
CID 60878764
1-[4-(2-Methoxyethylamino)butyl]pyrimidin-2-one
CID 62562941
1-[3-(2-Methoxyethylamino)propyl]pyrimidin-2-one
CID 62562944

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-one?
The IUPAC name of 1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-one (CID 43165933) is 1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-one.
What is the SMILES notation for 1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-one?
The canonical SMILES for 1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-one is CCNCC(O)Cn1cccnc1=O.
What is the InChIKey of 1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-one?
The InChIKey is ICFCATCNZONDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-10-6-8(13)7-12-5-3-4-11-9(12)14/h3-5,8,10,13H,2,6-7H2,1H3.
What are the key properties of 1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-one?
1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-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 1-[3-(ethylamino)-2-hydroxypropyl]pyrimidin-2-one is sourced from PubChem (CID 43165933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).