8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C16H23N3O — CID 53193766

IUPAC8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2
InChIInChI=1S/C16H23N3O/c1-11-14-8-9-15(20)19(16(14)18-12(2)17-11)10-13-6-4-3-5-7-13/h13H,3-10H2,1-2H3
InChIKeyAXHCHGDGASYWGE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.95
Rot. Bonds2

About 8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 53193766) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID53193766
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2
InChIInChI=1S/C16H23N3O/c1-11-14-8-9-15(20)19(16(14)18-12(2)17-11)10-13-6-4-3-5-7-13/h13H,3-10H2,1-2H3
InChIKeyAXHCHGDGASYWGE-UHFFFAOYSA-N
XLogP2.95
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 53193766) is 8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2.
What is the InChIKey of 8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AXHCHGDGASYWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-14-8-9-15(20)19(16(14)18-12(2)17-11)10-13-6-4-3-5-7-13/h13H,3-10H2,1-2H3.
What are the key properties of 8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 273.38 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53193766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).