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

C12H19N3O — CID 83890208

IUPAC3-tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C(C)(C)C)CNCC2
InChIInChI=1S/C12H19N3O/c1-8-14-10-5-6-13-7-9(10)11(16)15(8)12(2,3)4/h13H,5-7H2,1-4H3
InChIKeyUQHVEFNKEPFULM-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.95
Rot. Bonds

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

3-tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 83890208) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID83890208
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C(C)(C)C)CNCC2
InChIInChI=1S/C12H19N3O/c1-8-14-10-5-6-13-7-9(10)11(16)15(8)12(2,3)4/h13H,5-7H2,1-4H3
InChIKeyUQHVEFNKEPFULM-UHFFFAOYSA-N
XLogP0.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 83890208) is 3-tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C(C)(C)C)CNCC2.
What is the InChIKey of 3-tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UQHVEFNKEPFULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-14-10-5-6-13-7-9(10)11(16)15(8)12(2,3)4/h13H,5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
3-tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 83890208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).