2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one

C17H24N4O — CID 97449786

IUPAC2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(N2CCC3(CCN(CC4CC4)C3=O)CC2)nc1
InChIInChI=1S/C17H24N4O/c1-13-10-18-16(19-11-13)20-7-4-17(5-8-20)6-9-21(15(17)22)12-14-2-3-14/h10-11,14H,2-9,12H2,1H3
InChIKeyYCIPNVPHNIAAMD-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.01
Rot. Bonds3

About 2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one

2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449786) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449786
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(N2CCC3(CCN(CC4CC4)C3=O)CC2)nc1
InChIInChI=1S/C17H24N4O/c1-13-10-18-16(19-11-13)20-7-4-17(5-8-20)6-9-21(15(17)22)12-14-2-3-14/h10-11,14H,2-9,12H2,1H3
InChIKeyYCIPNVPHNIAAMD-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 97449786) is 2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one is Cc1cnc(N2CCC3(CCN(CC4CC4)C3=O)CC2)nc1.
What is the InChIKey of 2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YCIPNVPHNIAAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-10-18-16(19-11-13)20-7-4-17(5-8-20)6-9-21(15(17)22)12-14-2-3-14/h10-11,14H,2-9,12H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 300.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).