N-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide

C25H28N6O3 — CID 145490189

IUPACN-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide
SMILESNc1cc(NC(=O)C2CCOC2)ccc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C25H28N6O3/c26-22-15-19(28-24(32)17-8-12-34-16-17)3-6-21(22)23-7-9-27-25(30-23)29-18-1-4-20(5-2-18)31-10-13-33-14-11-31/h1-7,9,15,17H,8,10-14,16,26H2,(H,28,32)(H,27,29,30)
InChIKeyXFCBZGWNPGUTBY-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.28
Rot. Bonds6

About N-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide

N-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide (PubChem CID 145490189) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide
PubChem CID145490189
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC NameN-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide
SMILESNc1cc(NC(=O)C2CCOC2)ccc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C25H28N6O3/c26-22-15-19(28-24(32)17-8-12-34-16-17)3-6-21(22)23-7-9-27-25(30-23)29-18-1-4-20(5-2-18)31-10-13-33-14-11-31/h1-7,9,15,17H,8,10-14,16,26H2,(H,28,32)(H,27,29,30)
InChIKeyXFCBZGWNPGUTBY-UHFFFAOYSA-N
XLogP3.28
TPSA114.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]cyclohexanecarboxamide
CID 159909500
N-[4-[2-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;ethyl 3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]anilino]-3-oxopropanoate;N-ethyl-4-[4-[[4-[4-(oxolane-3-carbonylamino)phenyl]pyrimidin-2-yl]amino]phenyl]piperazine-1-carboxamide;N-[4-[2-[4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide
CID 157272302
N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080
N-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 162658060
2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 154271986
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
2-cyclopropyl-1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]ethanone
CID 157060692
(2R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide
CID 69022530
2-cyano-N-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 25062228
(2R)-1-tert-butyl-2-[[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]carbamoyl]pyrrolidin-1-ium-1-carboxylic acid
CID 87724908
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide
CID 95272006

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide?
The IUPAC name of N-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide (CID 145490189) is N-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide is Nc1cc(NC(=O)C2CCOC2)ccc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of N-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide?
The InChIKey is XFCBZGWNPGUTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c26-22-15-19(28-24(32)17-8-12-34-16-17)3-6-21(22)23-7-9-27-25(30-23)29-18-1-4-20(5-2-18)31-10-13-33-14-11-31/h1-7,9,15,17H,8,10-14,16,26H2,(H,28,32)(H,27,29,30).
What are the key properties of N-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide?
N-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 145490189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).