6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

C23H26N4O — CID 112880558

IUPAC6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccc(Nc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O/c1-17(2)18-8-10-20(11-9-18)24-21-16-22(27-12-14-28-15-13-27)26-23(25-21)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,24,25,26)
InChIKeyDZKFILWHBSCCND-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.85
Rot. Bonds5

About 6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 112880558) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID112880558
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccc(Nc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O/c1-17(2)18-8-10-20(11-9-18)24-21-16-22(27-12-14-28-15-13-27)26-23(25-21)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,24,25,26)
InChIKeyDZKFILWHBSCCND-UHFFFAOYSA-N
XLogP4.85
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
6-morpholin-4-yl-2-phenyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880557
6-morpholin-4-yl-2-phenyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112880500
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880581
N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880572
6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
CID 117085579
N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880553
N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434
N-(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880580
N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880530
1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone
CID 112880138
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112880026

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine (CID 112880558) is 6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is CC(C)c1ccc(Nc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is DZKFILWHBSCCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17(2)18-8-10-20(11-9-18)24-21-16-22(27-12-14-28-15-13-27)26-23(25-21)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,24,25,26).
What are the key properties of 6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine?
6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112880558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).