5-bromo-6-phenylmethoxypyrimidine-2,4-diamine

C11H11BrN4O — CID 14479617

IUPAC5-bromo-6-phenylmethoxypyrimidine-2,4-diamine
SMILESNc1nc(N)c(Br)c(OCc2ccccc2)n1
InChIInChI=1S/C11H11BrN4O/c12-8-9(13)15-11(14)16-10(8)17-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16)
InChIKeyUFPIUYMVVMDAIY-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.98
Rot. Bonds3

About 5-bromo-6-phenylmethoxypyrimidine-2,4-diamine

5-bromo-6-phenylmethoxypyrimidine-2,4-diamine (PubChem CID 14479617) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-bromo-6-phenylmethoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-6-phenylmethoxypyrimidine-2,4-diamine
PubChem CID14479617
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name5-bromo-6-phenylmethoxypyrimidine-2,4-diamine
SMILESNc1nc(N)c(Br)c(OCc2ccccc2)n1
InChIInChI=1S/C11H11BrN4O/c12-8-9(13)15-11(14)16-10(8)17-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16)
InChIKeyUFPIUYMVVMDAIY-UHFFFAOYSA-N
XLogP1.98
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-6-phenylmethoxypyrimidine-2,4-diamine 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

2,4-Diamino-6-benzyloxy-5-nitrosopyrimidine
CID 181029
4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
CID 155548365
2,4-Bis(benzyloxy)-5-bromopyrimidine
CID 256039
2,5,6-Triamino-4-Benzyloxypyrimidine
CID 9816044
6-(Benzyloxy)pyrimidine-2,4-diamine
CID 10130617
4-N-methyl-6-phenylmethoxypyrimidine-2,4-diamine
CID 80858380
6-[(4-Methoxyphenyl)methoxy]pyrimidine-2,4-diamine
CID 80866364
Pyrimidine deriv. 13c
CID 5329593
6-(Benzyloxy)-2-methoxy-5-nitroso-4-pyrimidinamine
CID 378838
4-(Benzyloxy)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 46228092
6-(Benzyloxy)pyrimidin-4-amine
CID 309338
6-(4-bromophenyl)-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine
CID 58909584

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-phenylmethoxypyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-6-phenylmethoxypyrimidine-2,4-diamine (CID 14479617) is 5-bromo-6-phenylmethoxypyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-6-phenylmethoxypyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-6-phenylmethoxypyrimidine-2,4-diamine is Nc1nc(N)c(Br)c(OCc2ccccc2)n1.
What is the InChIKey of 5-bromo-6-phenylmethoxypyrimidine-2,4-diamine?
The InChIKey is UFPIUYMVVMDAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-8-9(13)15-11(14)16-10(8)17-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16).
What are the key properties of 5-bromo-6-phenylmethoxypyrimidine-2,4-diamine?
5-bromo-6-phenylmethoxypyrimidine-2,4-diamine has a molecular weight of 295.14 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-phenylmethoxypyrimidine-2,4-diamine is sourced from PubChem (CID 14479617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).