4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one

C14H14BrN3O — CID 136974738

IUPAC4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(NCc2cccc(Br)c2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H14BrN3O/c15-11-3-1-2-9(6-11)8-16-12-7-13(19)18-14(17-12)10-4-5-10/h1-3,6-7,10H,4-5,8H2,(H2,16,17,18,19)
InChIKeyDVYLTXIHBMNZLW-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.02
Rot. Bonds4

About 4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one

4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136974738) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136974738
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(NCc2cccc(Br)c2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H14BrN3O/c15-11-3-1-2-9(6-11)8-16-12-7-13(19)18-14(17-12)10-4-5-10/h1-3,6-7,10H,4-5,8H2,(H2,16,17,18,19)
InChIKeyDVYLTXIHBMNZLW-UHFFFAOYSA-N
XLogP3.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]benzoic acid
CID 136958545
2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973791
2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136975163
2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975561
2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137016422
2-cyclopropyl-4-[(1-methylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136974708
2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136974677
2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974262
2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
CID 137016366
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136782373
2-cyclopropyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136961774

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136974738) is 4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(NCc2cccc(Br)c2)nc(C2CC2)[nH]1.
What is the InChIKey of 4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is DVYLTXIHBMNZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-11-3-1-2-9(6-11)8-16-12-7-13(19)18-14(17-12)10-4-5-10/h1-3,6-7,10H,4-5,8H2,(H2,16,17,18,19).
What are the key properties of 4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 320.19 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136974738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).