4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one

C14H16BrN3O — CID 136888703

IUPAC4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc(-c2ccc(C)c(Br)c2)[nH]c1=O
InChIInChI=1S/C14H16BrN3O/c1-3-4-10-12(16)17-13(18-14(10)19)9-6-5-8(2)11(15)7-9/h5-7H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeyCOPPOEJUQRWCTF-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.04
Rot. Bonds3

About 4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one

4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 136888703) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one
PubChem CID136888703
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc(-c2ccc(C)c(Br)c2)[nH]c1=O
InChIInChI=1S/C14H16BrN3O/c1-3-4-10-12(16)17-13(18-14(10)19)9-6-5-8(2)11(15)7-9/h5-7H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeyCOPPOEJUQRWCTF-UHFFFAOYSA-N
XLogP3.04
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methylphenyl)-5-iodo-4-propyl-1H-pyrimidin-6-one
CID 136701869
2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 115565725
2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63611790
4-amino-2-(3,4-dihydroxyphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136938581
2-(3-bromo-4-methylphenyl)-4-methyl-1H-pyrimidin-6-one
CID 136701853
2-(3,4-dihydroxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 136889104
4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one
CID 135418931
8-(3-bromo-4-methylphenyl)-3-ethyl-7H-purine-2,6-dione
CID 115877858
2-(3-bromo-4-methylphenyl)-4-tert-butyl-1H-pyrimidin-6-one
CID 136701857
2-(3-bromo-4-methylphenyl)-5-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 137314858
2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136701879
4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one
CID 137277391

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one (CID 136888703) is 4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(N)nc(-c2ccc(C)c(Br)c2)[nH]c1=O.
What is the InChIKey of 4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is COPPOEJUQRWCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-4-10-12(16)17-13(18-14(10)19)9-6-5-8(2)11(15)7-9/h5-7H,3-4H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one?
4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 322.21 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136888703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).