6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine

C15H19BrN4 — CID 112868378

IUPAC6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine
SMILESCCC(C)Nc1cc(Nc2cccc(Br)c2)nc(C)n1
InChIInChI=1S/C15H19BrN4/c1-4-10(2)17-14-9-15(19-11(3)18-14)20-13-7-5-6-12(16)8-13/h5-10H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyACXMSOPGFFTSJO-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.50
Rot. Bonds5

About 6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine

6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine (PubChem CID 112868378) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine
PubChem CID112868378
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine
SMILESCCC(C)Nc1cc(Nc2cccc(Br)c2)nc(C)n1
InChIInChI=1S/C15H19BrN4/c1-4-10(2)17-14-9-15(19-11(3)18-14)20-13-7-5-6-12(16)8-13/h5-10H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyACXMSOPGFFTSJO-UHFFFAOYSA-N
XLogP4.50
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193366
1-[3-[[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112868357
4-N-butan-2-yl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868395
4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868353
2-[[6-(3-bromoanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194948
4-N-(3-bromophenyl)-2-methyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873333
6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373487
6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846670
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
N-(3-bromophenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876515
4-N-butan-2-yl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868386
4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876895

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine (CID 112868378) is 6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine is CCC(C)Nc1cc(Nc2cccc(Br)c2)nc(C)n1.
What is the InChIKey of 6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine?
The InChIKey is ACXMSOPGFFTSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-4-10(2)17-14-9-15(19-11(3)18-14)20-13-7-5-6-12(16)8-13/h5-10H,4H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine?
6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine has a molecular weight of 335.25 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-bromophenyl)-4-N-butan-2-yl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112868378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).