2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

C18H26N4O — CID 70710773

IUPAC2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)ncn1
InChIInChI=1S/C18H26N4O/c1-14-10-16(20-13-19-14)21-8-6-18(7-9-21)5-4-17(23)22(12-18)11-15-2-3-15/h10,13,15H,2-9,11-12H2,1H3
InChIKeyOQWONABWPOPUMO-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.40
Rot. Bonds3

About 2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70710773) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70710773
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)ncn1
InChIInChI=1S/C18H26N4O/c1-14-10-16(20-13-19-14)21-8-6-18(7-9-21)5-4-17(23)22(12-18)11-15-2-3-15/h10,13,15H,2-9,11-12H2,1H3
InChIKeyOQWONABWPOPUMO-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70710773) is 2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)ncn1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OQWONABWPOPUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-10-16(20-13-19-14)21-8-6-18(7-9-21)5-4-17(23)22(12-18)11-15-2-3-15/h10,13,15H,2-9,11-12H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 314.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70710773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).