6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine

C9H12BrN3 — CID 131054209

IUPAC6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine
SMILESC=C(CC)CNc1cc(Br)ncn1
InChIInChI=1S/C9H12BrN3/c1-3-7(2)5-11-9-4-8(10)12-6-13-9/h4,6H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyZBHSYDZWSVDBCF-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.62
Rot. Bonds4

About 6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine

6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine (PubChem CID 131054209) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine
PubChem CID131054209
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine
SMILESC=C(CC)CNc1cc(Br)ncn1
InChIInChI=1S/C9H12BrN3/c1-3-7(2)5-11-9-4-8(10)12-6-13-9/h4,6H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyZBHSYDZWSVDBCF-UHFFFAOYSA-N
XLogP2.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-bromo-N-(2-methylidenebutyl)pyrimidin-4-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

6-methyl-N-(2-methylidenebutyl)pyrimidin-4-amine
CID 131071652
5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine
CID 130655433
6-bromo-N-but-2-ynylpyrimidin-4-amine
CID 106195780
6-bromo-N-but-3-enylpyrimidin-4-amine
CID 106196154
3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106178733
N-benzyl-2-[(6-bromopyrimidin-4-yl)amino]acetamide
CID 106193023
6-chloro-4-N-(2-methylidenebutyl)pyrimidine-4,5-diamine
CID 130631728
4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106137378
2-[(6-ethylpyrimidin-4-yl)amino]acetic acid
CID 61236041
6-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038164
6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897335
6-bromo-N-(2-prop-2-enylsulfanylethyl)pyrimidin-4-amine
CID 106431829

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine (CID 131054209) is 6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine is C=C(CC)CNc1cc(Br)ncn1.
What is the InChIKey of 6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine?
The InChIKey is ZBHSYDZWSVDBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c1-3-7(2)5-11-9-4-8(10)12-6-13-9/h4,6H,2-3,5H2,1H3,(H,11,12,13).
What are the key properties of 6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine?
6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine has a molecular weight of 242.12 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methylidenebutyl)pyrimidin-4-amine is sourced from PubChem (CID 131054209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).