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

C11H17N3O2 — CID 63611769

IUPAC4-hydroxy-5-propyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-2-5-8-9(15)12-11(13-10(8)16)14-6-3-4-7-14/h2-7H2,1H3,(H2,12,13,15,16)
InChIKeyFVQXWNAZESQQFQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.03
Rot. Bonds3

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

4-hydroxy-5-propyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 63611769) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-hydroxy-5-propyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-propyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID63611769
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-hydroxy-5-propyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-2-5-8-9(15)12-11(13-10(8)16)14-6-3-4-7-14/h2-7H2,1H3,(H2,12,13,15,16)
InChIKeyFVQXWNAZESQQFQ-UHFFFAOYSA-N
XLogP1.03
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-hydroxy-2-piperidino-4(3H)-pyrimidinone
CID 1859878
2-(Pyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4(3H)-one
CID 136210297
5-butan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 139525823
5-butyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 156711802
5-butyl-2-(4-ethylpiperazin-1-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 1970072
2-(azepan-1-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 55216631
2-(azepan-1-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 55217406
4-hydroxy-2-(methylamino)-5-propyl-1H-pyrimidin-6-one
CID 63553550
4-hydroxy-2-piperazin-1-yl-5-propyl-1H-pyrimidin-6-one
CID 63555710
2-(diethylamino)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63611438
4-hydroxy-2-piperidin-1-yl-5-propyl-1H-pyrimidin-6-one
CID 63611600
2-(dimethylamino)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63611770

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-propyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-propyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 63611769) is 4-hydroxy-5-propyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-propyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-propyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is CCCc1c(O)nc(N2CCCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-propyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is FVQXWNAZESQQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-5-8-9(15)12-11(13-10(8)16)14-6-3-4-7-14/h2-7H2,1H3,(H2,12,13,15,16).
What are the key properties of 4-hydroxy-5-propyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
4-hydroxy-5-propyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-propyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63611769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).