1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one

C11H21N3O — CID 18684996

IUPAC1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one
SMILESCN1CCC2CN(C)C(=O)N(C)C2(C)C1
InChIInChI=1S/C11H21N3O/c1-11-8-12(2)6-5-9(11)7-13(3)10(15)14(11)4/h9H,5-8H2,1-4H3
InChIKeyQANVPVYHQQYZSM-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.69
Rot. Bonds

About 1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one

1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one (PubChem CID 18684996) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one
PubChem CID18684996
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one
SMILESCN1CCC2CN(C)C(=O)N(C)C2(C)C1
InChIInChI=1S/C11H21N3O/c1-11-8-12(2)6-5-9(11)7-13(3)10(15)14(11)4/h9H,5-8H2,1-4H3
InChIKeyQANVPVYHQQYZSM-UHFFFAOYSA-N
XLogP0.69
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one (CID 18684996) is 1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one is CN1CCC2CN(C)C(=O)N(C)C2(C)C1.
What is the InChIKey of 1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one?
The InChIKey is QANVPVYHQQYZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11-8-12(2)6-5-9(11)7-13(3)10(15)14(11)4/h9H,5-8H2,1-4H3.
What are the key properties of 1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one?
1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one has a molecular weight of 211.31 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 18684996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).