6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine

C29H31N5O — CID 3599041

IUPAC6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2cncc(-c3cc(NCCCN4CCOCC4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C29H31N5O/c1-22-8-10-23(11-9-22)25-18-26(21-30-20-25)27-19-28(31-12-5-13-34-14-16-35-17-15-34)33-29(32-27)24-6-3-2-4-7-24/h2-4,6-11,18-21H,5,12-17H2,1H3,(H,31,32,33)
InChIKeyVFBTZRQCVXTMHZ-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.32
Rot. Bonds8

About 6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine

6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine (PubChem CID 3599041) has the molecular formula C29H31N5O and a molecular weight of 465.60 g/mol. Its IUPAC name is 6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine
PubChem CID3599041
Molecular FormulaC29H31N5O
Molecular Weight465.60 g/mol
Exact Mass465.25
IUPAC Name6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2cncc(-c3cc(NCCCN4CCOCC4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C29H31N5O/c1-22-8-10-23(11-9-22)25-18-26(21-30-20-25)27-19-28(31-12-5-13-34-14-16-35-17-15-34)33-29(32-27)24-6-3-2-4-7-24/h2-4,6-11,18-21H,5,12-17H2,1H3,(H,31,32,33)
InChIKeyVFBTZRQCVXTMHZ-UHFFFAOYSA-N
XLogP5.32
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine with MolForge

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Related Compounds

N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 4998539
N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 4534225
N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 3610950
N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664
2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol
CID 3565841
6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852227
2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile
CID 21004425
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 4193041
6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 117080618
6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine
CID 3829399
N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853712

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine (CID 3599041) is 6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine is Cc1ccc(-c2cncc(-c3cc(NCCCN4CCOCC4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine?
The InChIKey is VFBTZRQCVXTMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O/c1-22-8-10-23(11-9-22)25-18-26(21-30-20-25)27-19-28(31-12-5-13-34-14-16-35-17-15-34)33-29(32-27)24-6-3-2-4-7-24/h2-4,6-11,18-21H,5,12-17H2,1H3,(H,31,32,33).
What are the key properties of 6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine?
6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine has a molecular weight of 465.60 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 3599041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).