4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine

C15H19BrN4 — CID 115265721

IUPAC4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)CCc2cccc(Br)c2)ncn1
InChIInChI=1S/C15H19BrN4/c1-3-17-14-10-15(19-11-18-14)20(2)8-7-12-5-4-6-13(16)9-12/h4-6,9-11H,3,7-8H2,1-2H3,(H,17,18,19)
InChIKeyNBTDKWYDERXAIF-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.35
Rot. Bonds6

About 4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine

4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine (PubChem CID 115265721) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
PubChem CID115265721
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)CCc2cccc(Br)c2)ncn1
InChIInChI=1S/C15H19BrN4/c1-3-17-14-10-15(19-11-18-14)20(2)8-7-12-5-4-6-13(16)9-12/h4-6,9-11H,3,7-8H2,1-2H3,(H,17,18,19)
InChIKeyNBTDKWYDERXAIF-UHFFFAOYSA-N
XLogP3.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Bromophenyl)pyrimidine-2,4-diamine
CID 504037
2-[4-[(3-Bromophenyl)methyl]-1-piperazinyl]pyrimidine
CID 754229
4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112885084
4-N,6-N-dimethyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine
CID 155511596
5-[(4-Bromophenyl)methyl]pyrimidine-2,4-diamine
CID 14727372
2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 57393996
4-Benzyl-2,6-diisobutylamino-pyrimidine
CID 25130896
N-benzyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 46891014
N-phenethyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 46891059
2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine
CID 3234535
2-N-(2-bromo-4-propan-2-ylphenyl)-2-N-ethyl-4-N-(2-ethylbutyl)-6-methylpyrimidine-2,4-diamine
CID 10526779
5-[(3-Bromophenyl)methyl]pyrimidine-2,4-diamine
CID 14999850

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine (CID 115265721) is 4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine is CCNc1cc(N(C)CCc2cccc(Br)c2)ncn1.
What is the InChIKey of 4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is NBTDKWYDERXAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-3-17-14-10-15(19-11-18-14)20(2)8-7-12-5-4-6-13(16)9-12/h4-6,9-11H,3,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 335.25 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-bromophenyl)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).