2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one

C13H14FN5O2 — CID 126938817

IUPAC2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C2COCC2Nc2ncc(F)cn2)n1
InChIInChI=1S/C13H14FN5O2/c1-8-2-3-12(20)19(18-8)11-7-21-6-10(11)17-13-15-4-9(14)5-16-13/h2-5,10-11H,6-7H2,1H3,(H,15,16,17)
InChIKeyDYWAMYWKAOMWSM-UHFFFAOYSA-N
MW291.29 g/mol
LogP0.53
Rot. Bonds3

About 2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one

2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one (PubChem CID 126938817) has the molecular formula C13H14FN5O2 and a molecular weight of 291.29 g/mol. Its IUPAC name is 2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one
PubChem CID126938817
Molecular FormulaC13H14FN5O2
Molecular Weight291.29 g/mol
Exact Mass291.11
IUPAC Name2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C2COCC2Nc2ncc(F)cn2)n1
InChIInChI=1S/C13H14FN5O2/c1-8-2-3-12(20)19(18-8)11-7-21-6-10(11)17-13-15-4-9(14)5-16-13/h2-5,10-11H,6-7H2,1H3,(H,15,16,17)
InChIKeyDYWAMYWKAOMWSM-UHFFFAOYSA-N
XLogP0.53
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-((5-fluoropyrimidin-2-yl)oxy)pyrrolidine-1-carbonyl)pyridazin-3(2H)-one
CID 121017620
2-(4-{[4-(Trifluoromethyl)pyrimidin-2-yl]amino}oxolan-3-yl)-2,3-dihydropyridazin-3-one
CID 126938667
2-(4-{[6-(Trifluoromethyl)pyrimidin-4-yl]amino}oxolan-3-yl)-2,3-dihydropyridazin-3-one
CID 126938686
6-Methyl-2-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}oxolan-3-yl)-2,3-dihydropyridazin-3-one
CID 126938821
6-Methyl-2-(4-{[6-(trifluoromethyl)pyrimidin-4-yl]amino}oxolan-3-yl)-2,3-dihydropyridazin-3-one
CID 126938852
2-{4-[(5-Fluoropyrimidin-4-yl)amino]oxolan-3-yl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126938901
6-Cyclopropyl-2-{4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl}-2,3-dihydropyridazin-3-one
CID 126939017
6-Cyclopropyl-2-{4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl}-2,3-dihydropyridazin-3-one
CID 126939116
2-{4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl}-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126939246
2-{4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl}-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126939350
2-{4-[(5-Fluoropyrimidin-2-yl)amino]oxolan-3-yl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126939494
2-{4-[(5-Fluoropyrimidin-4-yl)amino]oxolan-3-yl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126939611

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one (CID 126938817) is 2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(C2COCC2Nc2ncc(F)cn2)n1.
What is the InChIKey of 2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one?
The InChIKey is DYWAMYWKAOMWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O2/c1-8-2-3-12(20)19(18-8)11-7-21-6-10(11)17-13-15-4-9(14)5-16-13/h2-5,10-11H,6-7H2,1H3,(H,15,16,17).
What are the key properties of 2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one?
2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one has a molecular weight of 291.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-yl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126938817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).