4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine

C19H19BrN4 — CID 112860538

IUPAC4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine
SMILESCCN(Cc1ccccc1)c1cc(Nc2ccccc2Br)ncn1
InChIInChI=1S/C19H19BrN4/c1-2-24(13-15-8-4-3-5-9-15)19-12-18(21-14-22-19)23-17-11-7-6-10-16(17)20/h3-12,14H,2,13H2,1H3,(H,21,22,23)
InChIKeyJYNPFJYHSRNIOL-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.01
Rot. Bonds6

About 4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine

4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine (PubChem CID 112860538) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine
PubChem CID112860538
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine
SMILESCCN(Cc1ccccc1)c1cc(Nc2ccccc2Br)ncn1
InChIInChI=1S/C19H19BrN4/c1-2-24(13-15-8-4-3-5-9-15)19-12-18(21-14-22-19)23-17-11-7-6-10-16(17)20/h3-12,14H,2,13H2,1H3,(H,21,22,23)
InChIKeyJYNPFJYHSRNIOL-UHFFFAOYSA-N
XLogP5.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-4,6-diamine
CID 112860547
4-[[6-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]benzonitrile
CID 112860551
4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859705
4-N-benzyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-ethylpyrimidine-4,6-diamine
CID 112860541
6-N-(2-tert-butylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863482
4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 112859420
1-[3-[[6-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112860525
4-N-benzyl-4-N-methyl-6-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112859471
6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875723
4-N-benzyl-4-N-ethyl-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860053
6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863489
4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112860466

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine (CID 112860538) is 4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine is CCN(Cc1ccccc1)c1cc(Nc2ccccc2Br)ncn1.
What is the InChIKey of 4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine?
The InChIKey is JYNPFJYHSRNIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c1-2-24(13-15-8-4-3-5-9-15)19-12-18(21-14-22-19)23-17-11-7-6-10-16(17)20/h3-12,14H,2,13H2,1H3,(H,21,22,23).
What are the key properties of 4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine?
4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine has a molecular weight of 383.29 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 112860538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).