10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane

C17H23FN6O — CID 134070746

IUPAC10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCn1ccnc1CN1CCC2(COCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H23FN6O/c1-22-5-3-19-15(22)10-23-4-2-17(11-23)12-24(6-7-25-13-17)16-20-8-14(18)9-21-16/h3,5,8-9H,2,4,6-7,10-13H2,1H3
InChIKeyCKTHSABYDBXJEI-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.08
Rot. Bonds3

About 10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane

10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 134070746) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is 10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID134070746
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCn1ccnc1CN1CCC2(COCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H23FN6O/c1-22-5-3-19-15(22)10-23-4-2-17(11-23)12-24(6-7-25-13-17)16-20-8-14(18)9-21-16/h3,5,8-9H,2,4,6-7,10-13H2,1H3
InChIKeyCKTHSABYDBXJEI-UHFFFAOYSA-N
XLogP1.08
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(1-Methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399490
5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 50981240
4-[[(6R)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
CID 97462942
4-[[(6S)-8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
CID 97462943
(6R)-8-(5-fluoropyrimidin-2-yl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492261
(6S)-8-(5-fluoropyrimidin-2-yl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492262
4-[[8-(5-Fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
CID 131649655
8-(5-Fluoropyrimidin-2-yl)-4-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131655313
2-[(1-Methylimidazol-2-yl)methyl]-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155825208
10-[(1-Methylimidazol-2-yl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155836910
2-[(1-Methylimidazol-2-yl)methyl]-10-(5-methylpyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155846787
2-[(1-Methylimidazol-2-yl)methyl]-10-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane;tris(2,2,2-trifluoroacetic acid)
CID 171686228

Frequently Asked Questions

What is the IUPAC name of 10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane (CID 134070746) is 10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane is Cn1ccnc1CN1CCC2(COCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of 10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is CKTHSABYDBXJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O/c1-22-5-3-19-15(22)10-23-4-2-17(11-23)12-24(6-7-25-13-17)16-20-8-14(18)9-21-16/h3,5,8-9H,2,4,6-7,10-13H2,1H3.
What are the key properties of 10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane?
10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 346.41 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-fluoropyrimidin-2-yl)-2-[(1-methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 134070746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).