4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine

C30H34N6 — CID 19136465

IUPAC4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
SMILESCc1cccc(N2CCN(c3ncnc(N(Cc4ccccc4)Cc4ccccc4)c3N)CC2)c1C
InChIInChI=1S/C30H34N6/c1-23-10-9-15-27(24(23)2)34-16-18-35(19-17-34)29-28(31)30(33-22-32-29)36(20-25-11-5-3-6-12-25)21-26-13-7-4-8-14-26/h3-15,22H,16-21,31H2,1-2H3
InChIKeyDARDIPKPABXCQF-UHFFFAOYSA-N
MW478.64 g/mol
LogP5.21
Rot. Bonds7

About 4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine

4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine (PubChem CID 19136465) has the molecular formula C30H34N6 and a molecular weight of 478.64 g/mol. Its IUPAC name is 4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
PubChem CID19136465
Molecular FormulaC30H34N6
Molecular Weight478.64 g/mol
Exact Mass478.28
IUPAC Name4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
SMILESCc1cccc(N2CCN(c3ncnc(N(Cc4ccccc4)Cc4ccccc4)c3N)CC2)c1C
InChIInChI=1S/C30H34N6/c1-23-10-9-15-27(24(23)2)34-16-18-35(19-17-34)29-28(31)30(33-22-32-29)36(20-25-11-5-3-6-12-25)21-26-13-7-4-8-14-26/h3-15,22H,16-21,31H2,1-2H3
InChIKeyDARDIPKPABXCQF-UHFFFAOYSA-N
XLogP5.21
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-benzhydrylpiperazin-1-yl)-4-N,4-N-dibenzylpyrimidine-4,5-diamine
CID 19136335
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539422
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine
CID 19149748
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140378
4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22540364
6-(azepan-1-yl)-4-N-benzyl-4-N-methylpyrimidine-4,5-diamine
CID 22539519
6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19136894
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 19142625
4-N-benzyl-6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-methylpyrimidine-4,5-diamine
CID 22539526
N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152192
4-N-(2,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19149844
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 19153551

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The IUPAC name of 4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine (CID 19136465) is 4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The canonical SMILES for 4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine is Cc1cccc(N2CCN(c3ncnc(N(Cc4ccccc4)Cc4ccccc4)c3N)CC2)c1C.
What is the InChIKey of 4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The InChIKey is DARDIPKPABXCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6/c1-23-10-9-15-27(24(23)2)34-16-18-35(19-17-34)29-28(31)30(33-22-32-29)36(20-25-11-5-3-6-12-25)21-26-13-7-4-8-14-26/h3-15,22H,16-21,31H2,1-2H3.
What are the key properties of 4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine has a molecular weight of 478.64 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine is sourced from PubChem (CID 19136465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).