6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one

C15H19N3O — CID 99799024

IUPAC6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1c2cncnc2ccn1CC1CCCCCC1
InChIInChI=1S/C15H19N3O/c19-15-13-9-16-11-17-14(13)7-8-18(15)10-12-5-3-1-2-4-6-12/h7-9,11-12H,1-6,10H2
InChIKeyXSNOBEBWVSCMPJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.76
Rot. Bonds2

About 6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one

6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one (PubChem CID 99799024) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one
PubChem CID99799024
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1c2cncnc2ccn1CC1CCCCCC1
InChIInChI=1S/C15H19N3O/c19-15-13-9-16-11-17-14(13)7-8-18(15)10-12-5-3-1-2-4-6-12/h7-9,11-12H,1-6,10H2
InChIKeyXSNOBEBWVSCMPJ-UHFFFAOYSA-N
XLogP2.76
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one (CID 99799024) is 6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one is O=c1c2cncnc2ccn1CC1CCCCCC1.
What is the InChIKey of 6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is XSNOBEBWVSCMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15-13-9-16-11-17-14(13)7-8-18(15)10-12-5-3-1-2-4-6-12/h7-9,11-12H,1-6,10H2.
What are the key properties of 6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one?
6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 257.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylmethyl)pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 99799024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).