1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine

C11H10Br2N4 — CID 113398724

IUPAC1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2ncc(Br)cc2Br)nc1
InChIInChI=1S/C11H10Br2N4/c1-14-3-7-4-16-11(17-5-7)10-9(13)2-8(12)6-15-10/h2,4-6,14H,3H2,1H3
InChIKeyLLSZBQLKQBQXET-UHFFFAOYSA-N
MW358.04 g/mol
LogP2.78
Rot. Bonds3

About 1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine

1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 113398724) has the molecular formula C11H10Br2N4 and a molecular weight of 358.04 g/mol. Its IUPAC name is 1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID113398724
Molecular FormulaC11H10Br2N4
Molecular Weight358.04 g/mol
Exact Mass355.93
IUPAC Name1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2ncc(Br)cc2Br)nc1
InChIInChI=1S/C11H10Br2N4/c1-14-3-7-4-16-11(17-5-7)10-9(13)2-8(12)6-15-10/h2,4-6,14H,3H2,1H3
InChIKeyLLSZBQLKQBQXET-UHFFFAOYSA-N
XLogP2.78
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.04
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine 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

1-[2-(3-bromophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 62755501
1-[2-(4-bromo-3,5-dimethylphenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114331093
1-[2-(3-bromo-4-methylphenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 107915562
1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 113337352
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 82802968
[2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine
CID 114205944
1-[2-(3,5-dibromo-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368392
1-[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367037
1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 62292466
3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 102544569
1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine
CID 62290504
2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 113394016

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine (CID 113398724) is 1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(-c2ncc(Br)cc2Br)nc1.
What is the InChIKey of 1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is LLSZBQLKQBQXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4/c1-14-3-7-4-16-11(17-5-7)10-9(13)2-8(12)6-15-10/h2,4-6,14H,3H2,1H3.
What are the key properties of 1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine?
1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 358.04 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 113398724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).