5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine

C9H12BrN3 — CID 115671858

IUPAC5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine
SMILESCC1CC(Nc2ncc(Br)cn2)C1
InChIInChI=1S/C9H12BrN3/c1-6-2-8(3-6)13-9-11-4-7(10)5-12-9/h4-6,8H,2-3H2,1H3,(H,11,12,13)
InChIKeyRPOHHSJXDZPBDB-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.45
Rot. Bonds2

About 5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine

5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine (PubChem CID 115671858) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine
PubChem CID115671858
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine
SMILESCC1CC(Nc2ncc(Br)cn2)C1
InChIInChI=1S/C9H12BrN3/c1-6-2-8(3-6)13-9-11-4-7(10)5-12-9/h4-6,8H,2-3H2,1H3,(H,11,12,13)
InChIKeyRPOHHSJXDZPBDB-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine
CID 79557581
N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine
CID 116648422
5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
CID 106996112
5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine
CID 63874176
5-bromo-N-[(2R,6R)-2,6-dimethylcyclohexyl]pyrimidin-2-amine
CID 95972202
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103704815
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 63872650
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440380
5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine
CID 104531796
[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl] methanesulfonate
CID 90410961
5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
CID 66339947
cis-(1S,3R)-3-[(5-bromopyrimidin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 95770562

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine (CID 115671858) is 5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine is CC1CC(Nc2ncc(Br)cn2)C1.
What is the InChIKey of 5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine?
The InChIKey is RPOHHSJXDZPBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c1-6-2-8(3-6)13-9-11-4-7(10)5-12-9/h4-6,8H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine?
5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine has a molecular weight of 242.12 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylcyclobutyl)pyrimidin-2-amine is sourced from PubChem (CID 115671858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).