5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one

C14H14BrN3O2 — CID 79438779

IUPAC5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CNC2CC2)nc(O)c1-c1ccccc1Br
InChIInChI=1S/C14H14BrN3O2/c15-10-4-2-1-3-9(10)12-13(19)17-11(18-14(12)20)7-16-8-5-6-8/h1-4,8,16H,5-7H2,(H2,17,18,19,20)
InChIKeyPVXZGVNSEWEORV-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.16
Rot. Bonds4

About 5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one

5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79438779) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79438779
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CNC2CC2)nc(O)c1-c1ccccc1Br
InChIInChI=1S/C14H14BrN3O2/c15-10-4-2-1-3-9(10)12-13(19)17-11(18-14(12)20)7-16-8-5-6-8/h1-4,8,16H,5-7H2,(H2,17,18,19,20)
InChIKeyPVXZGVNSEWEORV-UHFFFAOYSA-N
XLogP2.16
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79438693
2-(aminomethyl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439583
2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79441693
5-(2-bromophenyl)-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 79438851
5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one
CID 79439110
5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 115345591
5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one
CID 79434090
5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 79438852
5-(2-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 79434992
2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439289
5-(2-bromophenyl)-2-(5-bromothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 79434742
5-(2-bromophenyl)-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 115278470

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 79438779) is 5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(CNC2CC2)nc(O)c1-c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is PVXZGVNSEWEORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-10-4-2-1-3-9(10)12-13(19)17-11(18-14(12)20)7-16-8-5-6-8/h1-4,8,16H,5-7H2,(H2,17,18,19,20).
What are the key properties of 5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 336.19 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-[(cyclopropylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79438779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).