2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one

C19H26N4O3 — CID 72926419

IUPAC2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ncc(CC(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C19H26N4O3/c1-13-20-11-14(18(26)21-13)10-17(25)22-8-6-19(7-9-22)5-4-16(24)23(12-19)15-2-3-15/h11,15H,2-10,12H2,1H3,(H,20,21,26)
InChIKeyQGHNCVJKMKNRSG-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.01
Rot. Bonds3

About 2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72926419) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72926419
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ncc(CC(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C19H26N4O3/c1-13-20-11-14(18(26)21-13)10-17(25)22-8-6-19(7-9-22)5-4-16(24)23(12-19)15-2-3-15/h11,15H,2-10,12H2,1H3,(H,20,21,26)
InChIKeyQGHNCVJKMKNRSG-UHFFFAOYSA-N
XLogP1.01
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72926419) is 2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1ncc(CC(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)c(=O)[nH]1.
What is the InChIKey of 2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QGHNCVJKMKNRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-20-11-14(18(26)21-13)10-17(25)22-8-6-19(7-9-22)5-4-16(24)23(12-19)15-2-3-15/h11,15H,2-10,12H2,1H3,(H,20,21,26).
What are the key properties of 2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 358.44 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72926419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).