2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C14H16ClN3O2 — CID 79440436

IUPAC2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(N)Cc1nc(O)c(-c2cccc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C14H16ClN3O2/c1-2-10(16)7-11-17-13(19)12(14(20)18-11)8-4-3-5-9(15)6-8/h3-6,10H,2,7,16H2,1H3,(H2,17,18,19,20)
InChIKeyXUCYTFMVCKFIIX-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.08
Rot. Bonds4

About 2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79440436) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79440436
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(N)Cc1nc(O)c(-c2cccc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C14H16ClN3O2/c1-2-10(16)7-11-17-13(19)12(14(20)18-11)8-4-3-5-9(15)6-8/h3-6,10H,2,7,16H2,1H3,(H2,17,18,19,20)
InChIKeyXUCYTFMVCKFIIX-UHFFFAOYSA-N
XLogP2.08
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminobutyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 79417005
2-(2-aminobutyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79440515
5-(3-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439793
2-(1-aminopropan-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79440205
5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 79441182
5-(3-chlorophenyl)-4-hydroxy-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
CID 79429745
5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
CID 79431425
5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705991
5-(4-chlorophenyl)-4-hydroxy-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 79438649
5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 107925383
5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 79442327
5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 79431771

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79440436) is 2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is CCC(N)Cc1nc(O)c(-c2cccc(Cl)c2)c(=O)[nH]1.
What is the InChIKey of 2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is XUCYTFMVCKFIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-2-10(16)7-11-17-13(19)12(14(20)18-11)8-4-3-5-9(15)6-8/h3-6,10H,2,7,16H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 293.75 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79440436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).