5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C13H21N3O — CID 142713876

IUPAC5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)C(C(C)(C)C)NCC2
InChIInChI=1S/C13H21N3O/c1-8-15-9-6-7-14-11(13(2,3)4)10(9)12(17)16(8)5/h11,14H,6-7H2,1-5H3
InChIKeyBULQUKIDLASBLM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.32
Rot. Bonds

About 5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 142713876) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID142713876
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)C(C(C)(C)C)NCC2
InChIInChI=1S/C13H21N3O/c1-8-15-9-6-7-14-11(13(2,3)4)10(9)12(17)16(8)5/h11,14H,6-7H2,1-5H3
InChIKeyBULQUKIDLASBLM-UHFFFAOYSA-N
XLogP1.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 142713876) is 5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)C(C(C)(C)C)NCC2.
What is the InChIKey of 5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BULQUKIDLASBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8-15-9-6-7-14-11(13(2,3)4)10(9)12(17)16(8)5/h11,14H,6-7H2,1-5H3.
What are the key properties of 5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 235.33 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 142713876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).