5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one

C11H16BrN3O — CID 136852237

IUPAC5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCCC1(CNc2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H16BrN3O/c1-2-3-11(4-5-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyLNIWNALWKDXBPS-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.52
Rot. Bonds5

About 5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one

5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136852237) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136852237
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCCC1(CNc2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H16BrN3O/c1-2-3-11(4-5-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyLNIWNALWKDXBPS-UHFFFAOYSA-N
XLogP2.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136852237) is 5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CCCC1(CNc2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of 5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is LNIWNALWKDXBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-2-3-11(4-5-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 286.17 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136852237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).