4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine

C13H15BrN4 — CID 158200511

IUPAC4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine
SMILESCc1nc(C)c(N)c(NCc2cccc(Br)c2)n1
InChIInChI=1S/C13H15BrN4/c1-8-12(15)13(18-9(2)17-8)16-7-10-4-3-5-11(14)6-10/h3-6H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyGAWJCHKVDNPXHB-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.05
Rot. Bonds3

About 4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine

4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine (PubChem CID 158200511) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine
PubChem CID158200511
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine
SMILESCc1nc(C)c(N)c(NCc2cccc(Br)c2)n1
InChIInChI=1S/C13H15BrN4/c1-8-12(15)13(18-9(2)17-8)16-7-10-4-3-5-11(14)6-10/h3-6H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyGAWJCHKVDNPXHB-UHFFFAOYSA-N
XLogP3.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78983069
5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
CID 79718282
N-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine
CID 146212943
2,6-dimethyl-4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine
CID 146843134
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794434
6-[(3-bromophenyl)methylamino]-2-methylpyrimidine-4-carbonitrile
CID 115143328
4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325532
N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146212990
6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
CID 63961950
N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 79632289
methyl 5-[[(5-amino-2,6-dimethylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate
CID 158779478
N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320817

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine (CID 158200511) is 4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine is Cc1nc(C)c(N)c(NCc2cccc(Br)c2)n1.
What is the InChIKey of 4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine?
The InChIKey is GAWJCHKVDNPXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-8-12(15)13(18-9(2)17-8)16-7-10-4-3-5-11(14)6-10/h3-6H,7,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine?
4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine has a molecular weight of 307.19 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine is sourced from PubChem (CID 158200511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).