4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine

C14H17BrN4 — CID 80794434

IUPAC4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cccc(Br)c2)c1C
InChIInChI=1S/C14H17BrN4/c1-3-16-13-10(2)14(19-9-18-13)17-8-11-5-4-6-12(15)7-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyYKWSGNUMAMUHFB-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.59
Rot. Bonds5

About 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine

4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80794434) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80794434
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cccc(Br)c2)c1C
InChIInChI=1S/C14H17BrN4/c1-3-16-13-10(2)14(19-9-18-13)17-8-11-5-4-6-12(15)7-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyYKWSGNUMAMUHFB-UHFFFAOYSA-N
XLogP3.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80826065
N-[(3-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63729624
6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791987
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
CID 79718282
N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63729625
4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80765162
6-[(3-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82807487
4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80833431
6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80826850
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80777916

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 80794434) is 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(NCc2cccc(Br)c2)c1C.
What is the InChIKey of 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is YKWSGNUMAMUHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-3-16-13-10(2)14(19-9-18-13)17-8-11-5-4-6-12(15)7-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 321.22 g/mol, XLogP of 3.59, 5 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]-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80794434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).