2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C14H16ClN3O2 — CID 79441539

IUPAC2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(C)(N)c1nc(O)c(-c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C14H16ClN3O2/c1-3-14(2,16)13-17-11(19)10(12(20)18-13)8-4-6-9(15)7-5-8/h4-7H,3,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyRYHCMVODVUOPTD-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.38
Rot. Bonds3

About 2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79441539) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79441539
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(C)(N)c1nc(O)c(-c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C14H16ClN3O2/c1-3-14(2,16)13-17-11(19)10(12(20)18-13)8-4-6-9(15)7-5-8/h4-7H,3,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyRYHCMVODVUOPTD-UHFFFAOYSA-N
XLogP2.38
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79432601
2-(2-aminobutan-2-yl)-4-hydroxy-5-(2-methylphenyl)-1H-pyrimidin-6-one
CID 79441317
5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 79442327
5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79438089
5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one
CID 44513470
5-(4-chlorophenyl)-4-hydroxy-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 79438649
2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79438945
5-(4-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705970
2-[amino(cyclopropyl)methyl]-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79442000
2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 79417630
2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439029
5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 79442335

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79441539) is 2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is CCC(C)(N)c1nc(O)c(-c2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of 2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is RYHCMVODVUOPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-3-14(2,16)13-17-11(19)10(12(20)18-13)8-4-6-9(15)7-5-8/h4-7H,3,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 293.75 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79441539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).