4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine

C18H26N6 — CID 22540923

IUPAC4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCCN1CCN(c2ncnc(Nc3cc(C)cc(C)c3)c2N)CC1
InChIInChI=1S/C18H26N6/c1-4-23-5-7-24(8-6-23)18-16(19)17(20-12-21-18)22-15-10-13(2)9-14(3)11-15/h9-12H,4-8,19H2,1-3H3,(H,20,21,22)
InChIKeyQWBSUTFDCFGNPN-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.56
Rot. Bonds4

About 4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine

4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine (PubChem CID 22540923) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
PubChem CID22540923
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCCN1CCN(c2ncnc(Nc3cc(C)cc(C)c3)c2N)CC1
InChIInChI=1S/C18H26N6/c1-4-23-5-7-24(8-6-23)18-16(19)17(20-12-21-18)22-15-10-13(2)9-14(3)11-15/h9-12H,4-8,19H2,1-3H3,(H,20,21,22)
InChIKeyQWBSUTFDCFGNPN-UHFFFAOYSA-N
XLogP2.56
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethylpiperazin-1-yl)-6-hydrazinylpyrimidin-5-amine
CID 19138427
4-N-(2,4-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138421
ethyl 3-[[5-amino-6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19138472
4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138393
4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138227
4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137318
4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 22541100
2-[4-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140604
ethyl 4-[[5-amino-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzoate
CID 19140626
4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22544263
4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine
CID 22540905
6-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)-5-nitropyrimidin-4-amine
CID 23490316

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine (CID 22540923) is 4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine is CCN1CCN(c2ncnc(Nc3cc(C)cc(C)c3)c2N)CC1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is QWBSUTFDCFGNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-4-23-5-7-24(8-6-23)18-16(19)17(20-12-21-18)22-15-10-13(2)9-14(3)11-15/h9-12H,4-8,19H2,1-3H3,(H,20,21,22).
What are the key properties of 4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine?
4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 326.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22540923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).