4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine

C18H26N6 — CID 22539284

IUPAC4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCCN(c1cccc(C)c1)c1ncnc(N2CCN(C)CC2)c1N
InChIInChI=1S/C18H26N6/c1-4-24(15-7-5-6-14(2)12-15)18-16(19)17(20-13-21-18)23-10-8-22(3)9-11-23/h5-7,12-13H,4,8-11,19H2,1-3H3
InChIKeyNXZSXTBZTCNQAJ-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.28
Rot. Bonds4

About 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine

4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine (PubChem CID 22539284) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
PubChem CID22539284
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCCN(c1cccc(C)c1)c1ncnc(N2CCN(C)CC2)c1N
InChIInChI=1S/C18H26N6/c1-4-24(15-7-5-6-14(2)12-15)18-16(19)17(20-13-21-18)23-10-8-22(3)9-11-23/h5-7,12-13H,4,8-11,19H2,1-3H3
InChIKeyNXZSXTBZTCNQAJ-UHFFFAOYSA-N
XLogP2.28
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-ethyl-4-N-(3-methylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22539280
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539422
4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22539296
6-(4-benzhydrylpiperazin-1-yl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539292
4-N-ethyl-6-imidazol-1-yl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539459
4-N,6-N,6-N-triethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539276
6-(2,2-diphenylhydrazinyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539339
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-ethyl-4-N-phenylpyrimidine-4,5-diamine
CID 22539819
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539266
6-N-benzyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539273
4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539360
4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539248

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine (CID 22539284) is 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine is CCN(c1cccc(C)c1)c1ncnc(N2CCN(C)CC2)c1N.
What is the InChIKey of 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is NXZSXTBZTCNQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-4-24(15-7-5-6-14(2)12-15)18-16(19)17(20-13-21-18)23-10-8-22(3)9-11-23/h5-7,12-13H,4,8-11,19H2,1-3H3.
What are the key properties of 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 326.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22539284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).