2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one

C16H21FN4O — CID 118744475

IUPAC2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(CC2CC2)CCC12CCCN(c1ncc(F)cn1)C2
InChIInChI=1S/C16H21FN4O/c17-13-8-18-15(19-9-13)21-6-1-4-16(11-21)5-7-20(14(16)22)10-12-2-3-12/h8-9,12H,1-7,10-11H2
InChIKeyCHMDOODTZGBCMS-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.84
Rot. Bonds3

About 2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one

2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118744475) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118744475
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(CC2CC2)CCC12CCCN(c1ncc(F)cn1)C2
InChIInChI=1S/C16H21FN4O/c17-13-8-18-15(19-9-13)21-6-1-4-16(11-21)5-7-20(14(16)22)10-12-2-3-12/h8-9,12H,1-7,10-11H2
InChIKeyCHMDOODTZGBCMS-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one (CID 118744475) is 2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(CC2CC2)CCC12CCCN(c1ncc(F)cn1)C2.
What is the InChIKey of 2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is CHMDOODTZGBCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c17-13-8-18-15(19-9-13)21-6-1-4-16(11-21)5-7-20(14(16)22)10-12-2-3-12/h8-9,12H,1-7,10-11H2.
What are the key properties of 2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one?
2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 304.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118744475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).