6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine

C21H22N4O — CID 117085579

IUPAC6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(N3CCOCC3)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-16-15-20(24-21(22-16)17-5-3-2-4-6-17)23-18-7-9-19(10-8-18)25-11-13-26-14-12-25/h2-10,15H,11-14H2,1H3,(H,22,23,24)
InChIKeyREIQMXJLCCGNEC-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.03
Rot. Bonds4

About 6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine

6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine (PubChem CID 117085579) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
PubChem CID117085579
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2ccc(N3CCOCC3)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-16-15-20(24-21(22-16)17-5-3-2-4-6-17)23-18-7-9-19(10-8-18)25-11-13-26-14-12-25/h2-10,15H,11-14H2,1H3,(H,22,23,24)
InChIKeyREIQMXJLCCGNEC-UHFFFAOYSA-N
XLogP4.03
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 117087554
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone
CID 167959813
6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880558
2-phenyl-6-N-propyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112879269
6-methyl-N-(4-morpholin-4-yloxolan-3-yl)-2-phenylpyrimidin-4-amine
CID 75594834
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880581
N-(4-morpholin-4-ylphenyl)-2-phenylpyrido[3,4-b]pyrazin-7-amine
CID 127031677
4-morpholin-4-yl-N-phenylaniline
CID 159018746
6-methyl-N-(4-piperidin-1-ylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909558
N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880572
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 53048150

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine (CID 117085579) is 6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine is Cc1cc(Nc2ccc(N3CCOCC3)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine?
The InChIKey is REIQMXJLCCGNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-15-20(24-21(22-16)17-5-3-2-4-6-17)23-18-7-9-19(10-8-18)25-11-13-26-14-12-25/h2-10,15H,11-14H2,1H3,(H,22,23,24).
What are the key properties of 6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine?
6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine has a molecular weight of 346.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 117085579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).