5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one

C10H14BrN3O — CID 136957732

IUPAC5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2Br)CC1C
InChIInChI=1S/C10H14BrN3O/c1-6-3-14(4-7(6)2)9-8(11)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyBHBQLKDGYHKDIG-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.62
Rot. Bonds1

About 5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one

5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136957732) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136957732
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2Br)CC1C
InChIInChI=1S/C10H14BrN3O/c1-6-3-14(4-7(6)2)9-8(11)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyBHBQLKDGYHKDIG-UHFFFAOYSA-N
XLogP1.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136957732) is 5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one is CC1CN(c2nc[nH]c(=O)c2Br)CC1C.
What is the InChIKey of 5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is BHBQLKDGYHKDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-6-3-14(4-7(6)2)9-8(11)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,12,13,15).
What are the key properties of 5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 272.15 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).