2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one

C9H16N2O2 — CID 90854752

IUPAC2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one
SMILESCCC(CC)N1C=CC(=O)NC1O
InChIInChI=1S/C9H16N2O2/c1-3-7(4-2)11-6-5-8(12)10-9(11)13/h5-7,9,13H,3-4H2,1-2H3,(H,10,12)
InChIKeyALJCZATZDZVJKJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.40
Rot. Bonds3

About 2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one

2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one (PubChem CID 90854752) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one
PubChem CID90854752
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one
SMILESCCC(CC)N1C=CC(=O)NC1O
InChIInChI=1S/C9H16N2O2/c1-3-7(4-2)11-6-5-8(12)10-9(11)13/h5-7,9,13H,3-4H2,1-2H3,(H,10,12)
InChIKeyALJCZATZDZVJKJ-UHFFFAOYSA-N
XLogP0.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one
CID 19758212
2-Hydroxy-3-methyl-1,2-dihydropyrimidin-4-one
CID 21115610
2-Hydroxy-6-oxo-1,2-dihydropyrimidine-3-carbonitrile
CID 21699318
2-Hydroxy-3-methyl-1,2-dihydropyrimidin-6-one
CID 44365734
1-Pentan-3-ylpyrimidine-2,4-dione
CID 91224356
2-Hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one
CID 123660651
3-Tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one
CID 138461649
2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one
CID 139335770
4-Amino-2-hydroxy-3-propyl-1,2-dihydropyrimidin-6-one
CID 143634310
(2S)-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one
CID 156219484
3-Ethyl-2-hydroxy-1,2-dihydropyrimidin-6-one
CID 156351622
3-Ethyl-2-hydroxy-3-methyl-1,2-dihydropyrimidin-3-ium-6-one
CID 163509953

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one?
The IUPAC name of 2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one (CID 90854752) is 2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one is CCC(CC)N1C=CC(=O)NC1O.
What is the InChIKey of 2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one?
The InChIKey is ALJCZATZDZVJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-7(4-2)11-6-5-8(12)10-9(11)13/h5-7,9,13H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one?
2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one has a molecular weight of 184.24 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 90854752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).