6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

C17H20FN5O2 — CID 109344662

IUPAC6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(Nc2cccc(F)c2)ncn1
InChIInChI=1S/C17H20FN5O2/c18-13-2-1-3-14(10-13)22-16-11-15(20-12-21-16)17(24)19-4-5-23-6-8-25-9-7-23/h1-3,10-12H,4-9H2,(H,19,24)(H,20,21,22)
InChIKeyOROFAVDASHZACF-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.42
Rot. Bonds6

About 6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109344662) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109344662
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(Nc2cccc(F)c2)ncn1
InChIInChI=1S/C17H20FN5O2/c18-13-2-1-3-14(10-13)22-16-11-15(20-12-21-16)17(24)19-4-5-23-6-8-25-9-7-23/h1-3,10-12H,4-9H2,(H,19,24)(H,20,21,22)
InChIKeyOROFAVDASHZACF-UHFFFAOYSA-N
XLogP1.42
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344634
N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109344651
6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350623
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109342721
4-(2,4-difluoroanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207564
N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109344569
6-(3-chloroanilino)-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109366518
4-(2,6-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207509
N-(2-morpholin-4-ylethyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109344568
6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344547
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109344513
N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 50783731

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (CID 109344662) is 6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is O=C(NCCN1CCOCC1)c1cc(Nc2cccc(F)c2)ncn1.
What is the InChIKey of 6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is OROFAVDASHZACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c18-13-2-1-3-14(10-13)22-16-11-15(20-12-21-16)17(24)19-4-5-23-6-8-25-9-7-23/h1-3,10-12H,4-9H2,(H,19,24)(H,20,21,22).
What are the key properties of 6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109344662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).