N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide

C20H24N4O3 — CID 146079163

IUPACN-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc(C2CCOCC2)ncn1
InChIInChI=1S/C20H24N4O3/c25-20(19-13-18(21-14-22-19)15-5-9-26-10-6-15)23-16-1-3-17(4-2-16)24-7-11-27-12-8-24/h1-4,13-15H,5-12H2,(H,23,25)
InChIKeyHGNQVMXCPLBVMJ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.46
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide

N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide (PubChem CID 146079163) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide
PubChem CID146079163
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc(C2CCOCC2)ncn1
InChIInChI=1S/C20H24N4O3/c25-20(19-13-18(21-14-22-19)15-5-9-26-10-6-15)23-16-1-3-17(4-2-16)24-7-11-27-12-8-24/h1-4,13-15H,5-12H2,(H,23,25)
InChIKeyHGNQVMXCPLBVMJ-UHFFFAOYSA-N
XLogP2.46
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
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

N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206689
N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343498
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 91650779
N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343519
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365472
1-ethyl-N-(4-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 121066972
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 51999642
N-cyclopropyl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109179845
6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 113200278
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide (CID 146079163) is N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(C2CCOCC2)ncn1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide?
The InChIKey is HGNQVMXCPLBVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-20(19-13-18(21-14-22-19)15-5-9-26-10-6-15)23-16-1-3-17(4-2-16)24-7-11-27-12-8-24/h1-4,13-15H,5-12H2,(H,23,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide?
N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-6-(oxan-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 146079163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).