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

C24H30N6O — CID 19142625

IUPAC6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
SMILESCOc1ccc(CNc2ncnc(N3CCN(c4cccc(C)c4C)CC3)c2N)cc1
InChIInChI=1S/C24H30N6O/c1-17-5-4-6-21(18(17)2)29-11-13-30(14-12-29)24-22(25)23(27-16-28-24)26-15-19-7-9-20(31-3)10-8-19/h4-10,16H,11-15,25H2,1-3H3,(H,26,27,28)
InChIKeyAAESYGPZVMYNPI-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.62
Rot. Bonds6

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

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine (PubChem CID 19142625) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
PubChem CID19142625
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
SMILESCOc1ccc(CNc2ncnc(N3CCN(c4cccc(C)c4C)CC3)c2N)cc1
InChIInChI=1S/C24H30N6O/c1-17-5-4-6-21(18(17)2)29-11-13-30(14-12-29)24-22(25)23(27-16-28-24)26-15-19-7-9-20(31-3)10-8-19/h4-10,16H,11-15,25H2,1-3H3,(H,26,27,28)
InChIKeyAAESYGPZVMYNPI-UHFFFAOYSA-N
XLogP3.62
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139013
4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22540364
1-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19142653
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 19153551
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 22534661
4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22546918
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19147620
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150032
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140378
4-N-(2,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19149844
N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152192
4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19136465

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine (CID 19142625) is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine is COc1ccc(CNc2ncnc(N3CCN(c4cccc(C)c4C)CC3)c2N)cc1.
What is the InChIKey of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine?
The InChIKey is AAESYGPZVMYNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-17-5-4-6-21(18(17)2)29-11-13-30(14-12-29)24-22(25)23(27-16-28-24)26-15-19-7-9-20(31-3)10-8-19/h4-10,16H,11-15,25H2,1-3H3,(H,26,27,28).
What are the key properties of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine?
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine has a molecular weight of 418.55 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 19142625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).