2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine

C22H26N4O — CID 112903272

IUPAC2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2nccc(Nc3c(C)cccc3C(C)C)n2)cc1
InChIInChI=1S/C22H26N4O/c1-5-27-18-11-9-17(10-12-18)24-22-23-14-13-20(26-22)25-21-16(4)7-6-8-19(21)15(2)3/h6-15H,5H2,1-4H3,(H2,23,24,25,26)
InChIKeySMKQWRIEWTZWNS-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.79
Rot. Bonds7

About 2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine

2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112903272) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112903272
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2nccc(Nc3c(C)cccc3C(C)C)n2)cc1
InChIInChI=1S/C22H26N4O/c1-5-27-18-11-9-17(10-12-18)24-22-23-14-13-20(26-22)25-21-16(4)7-6-8-19(21)15(2)3/h6-15H,5H2,1-4H3,(H2,23,24,25,26)
InChIKeySMKQWRIEWTZWNS-UHFFFAOYSA-N
XLogP5.79
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881957
4-N-[4-(dimethylamino)phenyl]-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903306
4-N-tert-butyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899709
2-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904932
2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904866
4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903465
5-N-(4-methoxyphenyl)-3-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965132
1-(4-ethoxyphenyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea
CID 17264833
4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903019
1-[4-[[4-(2-ethyl-6-methylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903028
2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905183
4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112899906

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine (CID 112903272) is 2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine is CCOc1ccc(Nc2nccc(Nc3c(C)cccc3C(C)C)n2)cc1.
What is the InChIKey of 2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is SMKQWRIEWTZWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-5-27-18-11-9-17(10-12-18)24-22-23-14-13-20(26-22)25-21-16(4)7-6-8-19(21)15(2)3/h6-15H,5H2,1-4H3,(H2,23,24,25,26).
What are the key properties of 2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine?
2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 5.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxyphenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112903272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).