2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine

C16H21BrN4 — CID 112925222

IUPAC2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCC(C)C)nc(Nc2ccccc2Br)n1
InChIInChI=1S/C16H21BrN4/c1-11(2)8-9-18-15-10-12(3)19-16(21-15)20-14-7-5-4-6-13(14)17/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19,20,21)
InChIKeyQROVKDJUOXGHOW-UHFFFAOYSA-N
MW349.28 g/mol
LogP4.75
Rot. Bonds6

About 2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine

2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 112925222) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID112925222
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCC(C)C)nc(Nc2ccccc2Br)n1
InChIInChI=1S/C16H21BrN4/c1-11(2)8-9-18-15-10-12(3)19-16(21-15)20-14-7-5-4-6-13(14)17/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19,20,21)
InChIKeyQROVKDJUOXGHOW-UHFFFAOYSA-N
XLogP4.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-fluorophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925174
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925161
6-methyl-2-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112925266
2-N-(2-bromophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913247
6-methyl-4-N-(3-methylbutyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112925219
2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928595
6-methyl-4-N-(3-methylbutyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907298
2-N-(3-methoxyphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925190
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924749
2-N-(2-bromo-4-methylphenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920134
4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine
CID 112924833

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 112925222) is 2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is Cc1cc(NCCC(C)C)nc(Nc2ccccc2Br)n1.
What is the InChIKey of 2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is QROVKDJUOXGHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-11(2)8-9-18-15-10-12(3)19-16(21-15)20-14-7-5-4-6-13(14)17/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 349.28 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112925222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).