5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide

C14H17ClN4O2 — CID 167908262

IUPAC5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide
SMILESCc1ncc(Cl)c(C(=O)NC2CCC(=O)NC23CCC3)n1
InChIInChI=1S/C14H17ClN4O2/c1-8-16-7-9(15)12(17-8)13(21)18-10-3-4-11(20)19-14(10)5-2-6-14/h7,10H,2-6H2,1H3,(H,18,21)(H,19,20)
InChIKeyVBRKIVJDYJHGPH-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.37
Rot. Bonds2

About 5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide

5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide (PubChem CID 167908262) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide
PubChem CID167908262
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide
SMILESCc1ncc(Cl)c(C(=O)NC2CCC(=O)NC23CCC3)n1
InChIInChI=1S/C14H17ClN4O2/c1-8-16-7-9(15)12(17-8)13(21)18-10-3-4-11(20)19-14(10)5-2-6-14/h7,10H,2-6H2,1H3,(H,18,21)(H,19,20)
InChIKeyVBRKIVJDYJHGPH-UHFFFAOYSA-N
XLogP1.37
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide (CID 167908262) is 5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide is Cc1ncc(Cl)c(C(=O)NC2CCC(=O)NC23CCC3)n1.
What is the InChIKey of 5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide?
The InChIKey is VBRKIVJDYJHGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-8-16-7-9(15)12(17-8)13(21)18-10-3-4-11(20)19-14(10)5-2-6-14/h7,10H,2-6H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide?
5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 167908262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).