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

C22H24Cl2N6 — CID 22546918

IUPAC4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
SMILESCc1cccc(N2CCN(c3ncnc(Nc4ccc(Cl)c(Cl)c4)c3N)CC2)c1C
InChIInChI=1S/C22H24Cl2N6/c1-14-4-3-5-19(15(14)2)29-8-10-30(11-9-29)22-20(25)21(26-13-27-22)28-16-6-7-17(23)18(24)12-16/h3-7,12-13H,8-11,25H2,1-2H3,(H,26,27,28)
InChIKeyHCEZETIVJMVXEQ-UHFFFAOYSA-N
MW443.38 g/mol
LogP5.05
Rot. Bonds4

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

4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine (PubChem CID 22546918) has the molecular formula C22H24Cl2N6 and a molecular weight of 443.38 g/mol. Its IUPAC name is 4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
PubChem CID22546918
Molecular FormulaC22H24Cl2N6
Molecular Weight443.38 g/mol
Exact Mass442.14
IUPAC Name4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
SMILESCc1cccc(N2CCN(c3ncnc(Nc4ccc(Cl)c(Cl)c4)c3N)CC2)c1C
InChIInChI=1S/C22H24Cl2N6/c1-14-4-3-5-19(15(14)2)29-8-10-30(11-9-29)22-20(25)21(26-13-27-22)28-16-6-7-17(23)18(24)12-16/h3-7,12-13H,8-11,25H2,1-2H3,(H,26,27,28)
InChIKeyHCEZETIVJMVXEQ-UHFFFAOYSA-N
XLogP5.05
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.38
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-chloro-4-fluorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19153074
4-N-(2,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19149844
4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22540364
4-N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22546792
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-N-(3-chloro-4-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138286
4-N-(3,4-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
CID 22543153
4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138227
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140378
4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137318
N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152192

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine (CID 22546918) is 4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine is Cc1cccc(N2CCN(c3ncnc(Nc4ccc(Cl)c(Cl)c4)c3N)CC2)c1C.
What is the InChIKey of 4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The InChIKey is HCEZETIVJMVXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N6/c1-14-4-3-5-19(15(14)2)29-8-10-30(11-9-29)22-20(25)21(26-13-27-22)28-16-6-7-17(23)18(24)12-16/h3-7,12-13H,8-11,25H2,1-2H3,(H,26,27,28).
What are the key properties of 4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine has a molecular weight of 443.38 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine is sourced from PubChem (CID 22546918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).