5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one

C10H15N3O2 — CID 63555350

IUPAC5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CCCN2)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-2-6-9(14)12-8(13-10(6)15)7-4-3-5-11-7/h7,11H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyBRJFNNHEZUNBAL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.46
Rot. Bonds2

About 5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one (PubChem CID 63555350) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
PubChem CID63555350
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CCCN2)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-2-6-9(14)12-8(13-10(6)15)7-4-3-5-11-7/h7,11H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyBRJFNNHEZUNBAL-UHFFFAOYSA-N
XLogP0.46
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 80550946
4-hydroxy-2-(1-piperazin-1-ylethyl)-5-propyl-1H-pyrimidin-6-one
CID 55221461
5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 55221567
5-(2-aminopropyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 55253950
2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63553557
5-ethyl-4-hydroxy-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 63553562
4-hydroxy-2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidin-6-one
CID 63553563
4-hydroxy-5-propan-2-yl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 63553564
5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 63553572
2-(1-aminoethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63553730
2-(1-aminoethyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63553731
2-[amino(cyclopropyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63553735

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one (CID 63555350) is 5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one is CCc1c(O)nc(C2CCCN2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The InChIKey is BRJFNNHEZUNBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-6-9(14)12-8(13-10(6)15)7-4-3-5-11-7/h7,11H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63555350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).