5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one

C10H17BrN4O — CID 136914206

IUPAC5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
SMILESCNCC(C)CN(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H17BrN4O/c1-7(4-12-2)5-15(3)9-8(11)10(16)14-6-13-9/h6-7,12H,4-5H2,1-3H3,(H,13,14,16)
InChIKeyCAWOLBCTKBTXRW-UHFFFAOYSA-N
MW289.18 g/mol
LogP0.82
Rot. Bonds5

About 5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one

5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one (PubChem CID 136914206) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
PubChem CID136914206
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
SMILESCNCC(C)CN(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H17BrN4O/c1-7(4-12-2)5-15(3)9-8(11)10(16)14-6-13-9/h6-7,12H,4-5H2,1-3H3,(H,13,14,16)
InChIKeyCAWOLBCTKBTXRW-UHFFFAOYSA-N
XLogP0.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one (CID 136914206) is 5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one is CNCC(C)CN(C)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
The InChIKey is CAWOLBCTKBTXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-7(4-12-2)5-15(3)9-8(11)10(16)14-6-13-9/h6-7,12H,4-5H2,1-3H3,(H,13,14,16).
What are the key properties of 5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one?
5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one has a molecular weight of 289.18 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136914206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).