4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine

C20H22N4O — CID 112928779

IUPAC4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1cc(C)nc(Nc2ccccc2OC)n1
InChIInChI=1S/C20H22N4O/c1-4-24(16-10-6-5-7-11-16)19-14-15(2)21-20(23-19)22-17-12-8-9-13-18(17)25-3/h5-14H,4H2,1-3H3,(H,21,22,23)
InChIKeyRRLSWAFTSBLSBR-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.70
Rot. Bonds6

About 4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine

4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112928779) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112928779
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1cc(C)nc(Nc2ccccc2OC)n1
InChIInChI=1S/C20H22N4O/c1-4-24(16-10-6-5-7-11-16)19-14-15(2)21-20(23-19)22-17-12-8-9-13-18(17)25-3/h5-14H,4H2,1-3H3,(H,21,22,23)
InChIKeyRRLSWAFTSBLSBR-UHFFFAOYSA-N
XLogP4.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-ethoxyphenyl)-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928782
4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112928811
methyl 4-chloro-3-[[4-(N-ethylanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112928800
4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112928805
4-N-[4-(diethylamino)phenyl]-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930510
4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926991
2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112909138
5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112964348
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930478
4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918947
4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112902915
2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112930483

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine (CID 112928779) is 4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine is CCN(c1ccccc1)c1cc(C)nc(Nc2ccccc2OC)n1.
What is the InChIKey of 4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is RRLSWAFTSBLSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-4-24(16-10-6-5-7-11-16)19-14-15(2)21-20(23-19)22-17-12-8-9-13-18(17)25-3/h5-14H,4H2,1-3H3,(H,21,22,23).
What are the key properties of 4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 334.42 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112928779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).