[6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone

C15H15FN4O2 — CID 109343620

IUPAC[6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Nc2ccc(F)cc2)ncn1)N1CCOCC1
InChIInChI=1S/C15H15FN4O2/c16-11-1-3-12(4-2-11)19-14-9-13(17-10-18-14)15(21)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2,(H,17,18,19)
InChIKeyVOWLMGZZNNZEOT-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.83
Rot. Bonds3

About [6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone

[6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109343620) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is [6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109343620
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name[6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Nc2ccc(F)cc2)ncn1)N1CCOCC1
InChIInChI=1S/C15H15FN4O2/c16-11-1-3-12(4-2-11)19-14-9-13(17-10-18-14)15(21)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2,(H,17,18,19)
InChIKeyVOWLMGZZNNZEOT-UHFFFAOYSA-N
XLogP1.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylpiperazin-1-yl)-[6-(4-fluoroanilino)pyrimidin-4-yl]methanone
CID 109345486
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343536
[6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343605
azepan-1-yl-[6-(3,4-difluoroanilino)pyrimidin-4-yl]methanone
CID 109355695
N-[4-[[6-(4-acetylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109346095
[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109345219
methyl 2-[[6-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109343652
4-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345832
methyl 4-[[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109345200
[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184706
[6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341154
[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341134

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109343620) is [6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone is O=C(c1cc(Nc2ccc(F)cc2)ncn1)N1CCOCC1.
What is the InChIKey of [6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is VOWLMGZZNNZEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-11-1-3-12(4-2-11)19-14-9-13(17-10-18-14)15(21)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2,(H,17,18,19).
What are the key properties of [6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 302.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109343620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).