N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

C17H19F2N5O2 — CID 109301529

IUPACN-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccnc(NCCN2CCOCC2)n1
InChIInChI=1S/C17H19F2N5O2/c18-12-1-2-14(13(19)11-12)22-16(25)15-3-4-20-17(23-15)21-5-6-24-7-9-26-10-8-24/h1-4,11H,5-10H2,(H,22,25)(H,20,21,23)
InChIKeyKGRATPKKVNMZQA-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.75
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (PubChem CID 109301529) has the molecular formula C17H19F2N5O2 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
PubChem CID109301529
Molecular FormulaC17H19F2N5O2
Molecular Weight363.37 g/mol
Exact Mass363.15
IUPAC NameN-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccnc(NCCN2CCOCC2)n1
InChIInChI=1S/C17H19F2N5O2/c18-12-1-2-14(13(19)11-12)22-16(25)15-3-4-20-17(23-15)21-5-6-24-7-9-26-10-8-24/h1-4,11H,5-10H2,(H,22,25)(H,20,21,23)
InChIKeyKGRATPKKVNMZQA-UHFFFAOYSA-N
XLogP1.75
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301487
N-(2,4-difluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185897
N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168130
N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301473
N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305603
N-(2,4-difluorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301831
4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045931
methyl 4-[[2-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109301520
N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303393
N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301415
4-(2,4-difluoroanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207564
N-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185855

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (CID 109301529) is N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccnc(NCCN2CCOCC2)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The InChIKey is KGRATPKKVNMZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O2/c18-12-1-2-14(13(19)11-12)22-16(25)15-3-4-20-17(23-15)21-5-6-24-7-9-26-10-8-24/h1-4,11H,5-10H2,(H,22,25)(H,20,21,23).
What are the key properties of N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).