4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine

C16H19BrN4 — CID 80956080

IUPAC4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccccc2Br)nc(C2CC2)n1
InChIInChI=1S/C16H19BrN4/c1-2-9-18-14-10-15(21-16(20-14)11-7-8-11)19-13-6-4-3-5-12(13)17/h3-6,10-11H,2,7-9H2,1H3,(H2,18,19,20,21)
InChIKeyXHDDMYIAMHVACK-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.68
Rot. Bonds6

About 4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine

4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80956080) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80956080
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccccc2Br)nc(C2CC2)n1
InChIInChI=1S/C16H19BrN4/c1-2-9-18-14-10-15(21-16(20-14)11-7-8-11)19-13-6-4-3-5-12(13)17/h3-6,10-11H,2,7-9H2,1H3,(H2,18,19,20,21)
InChIKeyXHDDMYIAMHVACK-UHFFFAOYSA-N
XLogP4.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-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

4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955833
4-N-(4-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955948
4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 107638809
2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959196
2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 102807870
2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80952552
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80956506
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755127
6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867600

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine (CID 80956080) is 4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2ccccc2Br)nc(C2CC2)n1.
What is the InChIKey of 4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is XHDDMYIAMHVACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c1-2-9-18-14-10-15(21-16(20-14)11-7-8-11)19-13-6-4-3-5-12(13)17/h3-6,10-11H,2,7-9H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 347.26 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80956080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).