1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide

C25H27N5O2 — CID 67987762

IUPAC1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide
SMILESNc1ncc(-c2ccc(C3(C(=O)Nc4ccc(N5CCOCC5)cc4)CCC3)cc2)cn1
InChIInChI=1S/C25H27N5O2/c26-24-27-16-19(17-28-24)18-2-4-20(5-3-18)25(10-1-11-25)23(31)29-21-6-8-22(9-7-21)30-12-14-32-15-13-30/h2-9,16-17H,1,10-15H2,(H,29,31)(H2,26,27,28)
InChIKeyPLFSCADJGYUWAK-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.62
Rot. Bonds5

About 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide (PubChem CID 67987762) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide
PubChem CID67987762
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide
SMILESNc1ncc(-c2ccc(C3(C(=O)Nc4ccc(N5CCOCC5)cc4)CCC3)cc2)cn1
InChIInChI=1S/C25H27N5O2/c26-24-27-16-19(17-28-24)18-2-4-20(5-3-18)25(10-1-11-25)23(31)29-21-6-8-22(9-7-21)30-12-14-32-15-13-30/h2-9,16-17H,1,10-15H2,(H,29,31)(H2,26,27,28)
InChIKeyPLFSCADJGYUWAK-UHFFFAOYSA-N
XLogP3.62
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-oxo-1H-pyridin-3-yl)cyclobutane-1-carboxamide
CID 57406950
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-cyano-3-pyridinyl)cyclobutane-1-carboxamide
CID 57407330
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide
CID 57406582
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]oxane-4-carboxamide
CID 67987783
N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide
CID 71135699
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 67987772
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 25332750
6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide
CID 67987851
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 57405879
1-(4-chlorophenyl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]cyclopentane-1-carboxamide
CID 122355071
N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide
CID 67987785
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide
CID 67987871

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide (CID 67987762) is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide is Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(N5CCOCC5)cc4)CCC3)cc2)cn1.
What is the InChIKey of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide?
The InChIKey is PLFSCADJGYUWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c26-24-27-16-19(17-28-24)18-2-4-20(5-3-18)25(10-1-11-25)23(31)29-21-6-8-22(9-7-21)30-12-14-32-15-13-30/h2-9,16-17H,1,10-15H2,(H,29,31)(H2,26,27,28).
What are the key properties of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide?
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 67987762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).