4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine

C19H20N4O — CID 112902126

IUPAC4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2ccnc(N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-3-24-17-11-9-15(10-12-17)21-18-13-14-20-19(22-18)23(2)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,20,21,22)
InChIKeyFLNPYFQMCLUTMP-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.39
Rot. Bonds6

About 4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine

4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112902126) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112902126
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2ccnc(N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-3-24-17-11-9-15(10-12-17)21-18-13-14-20-19(22-18)23(2)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,20,21,22)
InChIKeyFLNPYFQMCLUTMP-UHFFFAOYSA-N
XLogP4.39
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112902142
2-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904932
2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112899230
4-N-(4-bromo-3-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902148
2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904866
4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902119
4-N-(4-ethoxyphenyl)-2-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903465
4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937737
4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112887032
2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide
CID 109176932
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902163
2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112900151

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine (CID 112902126) is 4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine is CCOc1ccc(Nc2ccnc(N(C)c3ccccc3)n2)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is FLNPYFQMCLUTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-24-17-11-9-15(10-12-17)21-18-13-14-20-19(22-18)23(2)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,20,21,22).
What are the key properties of 4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 320.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112902126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).