6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine

C22H26N4O — CID 112872053

IUPAC6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(CCNc2cc(NC(C)c3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C22H26N4O/c1-16(19-7-5-4-6-8-19)24-22-15-21(25-17(2)26-22)23-14-13-18-9-11-20(27-3)12-10-18/h4-12,15-16H,13-14H2,1-3H3,(H2,23,24,25,26)
InChIKeyQYSIJTYNSPWUJL-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.62
Rot. Bonds8

About 6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine

6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine (PubChem CID 112872053) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
PubChem CID112872053
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(CCNc2cc(NC(C)c3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C22H26N4O/c1-16(19-7-5-4-6-8-19)24-22-15-21(25-17(2)26-22)23-14-13-18-9-11-20(27-3)12-10-18/h4-12,15-16H,13-14H2,1-3H3,(H2,23,24,25,26)
InChIKeyQYSIJTYNSPWUJL-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916769
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112874289
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 65416274
6-N-[(2-methoxyphenyl)methyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872040
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009
4-N-(4-methoxyphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874321
4-N-[(4-methoxyphenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872921
6-methyl-2-N-(1-phenylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112916763
6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 175167535
4-N-tert-butyl-2-methyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872076
N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 62047830
2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867661

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine (CID 112872053) is 6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine is COc1ccc(CCNc2cc(NC(C)c3ccccc3)nc(C)n2)cc1.
What is the InChIKey of 6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The InChIKey is QYSIJTYNSPWUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16(19-7-5-4-6-8-19)24-22-15-21(25-17(2)26-22)23-14-13-18-9-11-20(27-3)12-10-18/h4-12,15-16H,13-14H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine has a molecular weight of 362.48 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112872053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).