9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane

C16H23FN4O — CID 97372302

IUPAC9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCOC3(CCN(CC4CC4)CC3)C2)nc1
InChIInChI=1S/C16H23FN4O/c17-14-9-18-15(19-10-14)21-7-8-22-16(12-21)3-5-20(6-4-16)11-13-1-2-13/h9-10,13H,1-8,11-12H2
InChIKeyPBJYDWWMBMSULR-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.70
Rot. Bonds3

About 9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane

9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97372302) has the molecular formula C16H23FN4O and a molecular weight of 306.38 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97372302
Molecular FormulaC16H23FN4O
Molecular Weight306.38 g/mol
Exact Mass306.19
IUPAC Name9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCOC3(CCN(CC4CC4)CC3)C2)nc1
InChIInChI=1S/C16H23FN4O/c17-14-9-18-15(19-10-14)21-7-8-22-16(12-21)3-5-20(6-4-16)11-13-1-2-13/h9-10,13H,1-8,11-12H2
InChIKeyPBJYDWWMBMSULR-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
9-(Cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450991
2-Cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450997
2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
8-(5-Fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739111
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010
9-(Oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118745296
4-Cyclopropylsulfonyl-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131650300
2-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 50979248
2-Cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 131644954
8-(5-Fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 131660931

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97372302) is 9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is Fc1cnc(N2CCOC3(CCN(CC4CC4)CC3)C2)nc1.
What is the InChIKey of 9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is PBJYDWWMBMSULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c17-14-9-18-15(19-10-14)21-7-8-22-16(12-21)3-5-20(6-4-16)11-13-1-2-13/h9-10,13H,1-8,11-12H2.
What are the key properties of 9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 306.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97372302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).