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

C20H30N4O — CID 70771390

IUPAC2-cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nc(C)cc(N2CCC3(CCC(=O)N(C4CC4)C3)CC2)n1
InChIInChI=1S/C20H30N4O/c1-3-4-17-21-15(2)13-18(22-17)23-11-9-20(10-12-23)8-7-19(25)24(14-20)16-5-6-16/h13,16H,3-12,14H2,1-2H3
InChIKeyRETFLVZWFLYWAT-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.11
Rot. Bonds4

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

2-cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70771390) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70771390
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nc(C)cc(N2CCC3(CCC(=O)N(C4CC4)C3)CC2)n1
InChIInChI=1S/C20H30N4O/c1-3-4-17-21-15(2)13-18(22-17)23-11-9-20(10-12-23)8-7-19(25)24(14-20)16-5-6-16/h13,16H,3-12,14H2,1-2H3
InChIKeyRETFLVZWFLYWAT-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70771390) is 2-cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is CCCc1nc(C)cc(N2CCC3(CCC(=O)N(C4CC4)C3)CC2)n1.
What is the InChIKey of 2-cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is RETFLVZWFLYWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-3-4-17-21-15(2)13-18(22-17)23-11-9-20(10-12-23)8-7-19(25)24(14-20)16-5-6-16/h13,16H,3-12,14H2,1-2H3.
What are the key properties of 2-cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 342.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70771390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).