4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine

C22H26N4O — CID 112874136

IUPAC4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCCc1ccc(Nc2cc(NCCc3ccccc3OC)nc(C)n2)cc1
InChIInChI=1S/C22H26N4O/c1-4-17-9-11-19(12-10-17)26-22-15-21(24-16(2)25-22)23-14-13-18-7-5-6-8-20(18)27-3/h5-12,15H,4,13-14H2,1-3H3,(H2,23,24,25,26)
InChIKeyPMJQINZIKVVGBX-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.75
Rot. Bonds8

About 4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine

4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 112874136) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID112874136
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCCc1ccc(Nc2cc(NCCc3ccccc3OC)nc(C)n2)cc1
InChIInChI=1S/C22H26N4O/c1-4-17-9-11-19(12-10-17)26-22-15-21(24-16(2)25-22)23-14-13-18-7-5-6-8-20(18)27-3/h5-12,15H,4,13-14H2,1-3H3,(H2,23,24,25,26)
InChIKeyPMJQINZIKVVGBX-UHFFFAOYSA-N
XLogP4.75
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112867874
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874149
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112872453
4-N-(4-methoxyphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874321
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112874289
4-N-butan-2-yl-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112868258
6-N-[(2-methoxyphenyl)methyl]-2-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112872828
6-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877582
6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877576
2-N-[2-(2-methoxyphenyl)ethyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112921043
4-N-(4-methoxyphenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875784
2-methyl-4-N-(4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873723

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine (CID 112874136) is 4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine is CCc1ccc(Nc2cc(NCCc3ccccc3OC)nc(C)n2)cc1.
What is the InChIKey of 4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is PMJQINZIKVVGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-17-9-11-19(12-10-17)26-22-15-21(24-16(2)25-22)23-14-13-18-7-5-6-8-20(18)27-3/h5-12,15H,4,13-14H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 362.48 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112874136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).