N-[(3-bromophenyl)methyl]pyrimidin-4-amine

C11H10BrN3 — CID 61401223

IUPACN-[(3-bromophenyl)methyl]pyrimidin-4-amine
SMILESBrc1cccc(CNc2ccncn2)c1
InChIInChI=1S/C11H10BrN3/c12-10-3-1-2-9(6-10)7-14-11-4-5-13-8-15-11/h1-6,8H,7H2,(H,13,14,15)
InChIKeyBDGDRTNZMIZGTB-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.85
Rot. Bonds3

About N-[(3-bromophenyl)methyl]pyrimidin-4-amine

N-[(3-bromophenyl)methyl]pyrimidin-4-amine (PubChem CID 61401223) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]pyrimidin-4-amine
PubChem CID61401223
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC NameN-[(3-bromophenyl)methyl]pyrimidin-4-amine
SMILESBrc1cccc(CNc2ccncn2)c1
InChIInChI=1S/C11H10BrN3/c12-10-3-1-2-9(6-10)7-14-11-4-5-13-8-15-11/h1-6,8H,7H2,(H,13,14,15)
InChIKeyBDGDRTNZMIZGTB-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromophenyl)methyl]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

N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 61253758
1-(3-bromophenyl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 62748377
N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine
CID 53414444
N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327634
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80899114
2-[[6-[(3-bromophenyl)methylamino]pyrimidin-4-yl]amino]acetonitrile
CID 115264865
N-[(3-bromophenyl)methyl]-1,2-oxazol-3-amine
CID 83312159
6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
CID 63961950
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
N-[(4-ethylphenyl)methyl]pyrimidin-4-amine
CID 106900112
N-[(4-chlorophenyl)methyl]pyrimidin-4-amine
CID 61252594

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]pyrimidin-4-amine (CID 61401223) is N-[(3-bromophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]pyrimidin-4-amine is Brc1cccc(CNc2ccncn2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]pyrimidin-4-amine?
The InChIKey is BDGDRTNZMIZGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c12-10-3-1-2-9(6-10)7-14-11-4-5-13-8-15-11/h1-6,8H,7H2,(H,13,14,15).
What are the key properties of N-[(3-bromophenyl)methyl]pyrimidin-4-amine?
N-[(3-bromophenyl)methyl]pyrimidin-4-amine has a molecular weight of 264.13 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 61401223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).