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

C23H27N5O — CID 112928805

IUPAC4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1cc(C)nc(Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C23H27N5O/c1-3-28(19-9-5-4-6-10-19)22-17-18(2)24-23(26-22)25-20-11-7-8-12-21(20)27-13-15-29-16-14-27/h4-12,17H,3,13-16H2,1-2H3,(H,24,25,26)
InChIKeyIENSXIJNUINDKY-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.52
Rot. Bonds6

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

4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112928805) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112928805
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1cc(C)nc(Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C23H27N5O/c1-3-28(19-9-5-4-6-10-19)22-17-18(2)24-23(26-22)25-20-11-7-8-12-21(20)27-13-15-29-16-14-27/h4-12,17H,3,13-16H2,1-2H3,(H,24,25,26)
InChIKeyIENSXIJNUINDKY-UHFFFAOYSA-N
XLogP4.52
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-ethyl-6-methyl-4-N-phenyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928803
4-methyl-N-(2-morpholin-4-ylphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909374
4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928779
2-N-(2-ethoxyphenyl)-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928782
4-N-cyclopropyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112907508
4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112928811
N-ethyl-2-methyl-6-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 112869906
4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112913560
6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907068
2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112928044
2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112909138
4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926991

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine (CID 112928805) is 4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine is CCN(c1ccccc1)c1cc(C)nc(Nc2ccccc2N2CCOCC2)n1.
What is the InChIKey of 4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is IENSXIJNUINDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-3-28(19-9-5-4-6-10-19)22-17-18(2)24-23(26-22)25-20-11-7-8-12-21(20)27-13-15-29-16-14-27/h4-12,17H,3,13-16H2,1-2H3,(H,24,25,26).
What are the key properties of 4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine?
4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 389.50 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112928805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).