2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

C19H30N4O2 — CID 70732116

IUPAC2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nc(C)cc(N2CCC3(CCC(=O)N(CCO)C3)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-3-4-16-20-15(2)13-17(21-16)22-9-7-19(8-10-22)6-5-18(25)23(14-19)11-12-24/h13,24H,3-12,14H2,1-2H3
InChIKeyJVXRPFRHDFBDTG-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.94
Rot. Bonds5

About 2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70732116) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70732116
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nc(C)cc(N2CCC3(CCC(=O)N(CCO)C3)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-3-4-16-20-15(2)13-17(21-16)22-9-7-19(8-10-22)6-5-18(25)23(14-19)11-12-24/h13,24H,3-12,14H2,1-2H3
InChIKeyJVXRPFRHDFBDTG-UHFFFAOYSA-N
XLogP1.94
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70732116) is 2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is CCCc1nc(C)cc(N2CCC3(CCC(=O)N(CCO)C3)CC2)n1.
What is the InChIKey of 2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JVXRPFRHDFBDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-4-16-20-15(2)13-17(21-16)22-9-7-19(8-10-22)6-5-18(25)23(14-19)11-12-24/h13,24H,3-12,14H2,1-2H3.
What are the key properties of 2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.48 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70732116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).