1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine

C10H15N3 — CID 149110863

IUPAC1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine
SMILESCC1=NCN(C)C2C(C)=NC=CC12
InChIInChI=1S/C10H15N3/c1-7-9-4-5-11-8(2)10(9)13(3)6-12-7/h4-5,9-10H,6H2,1-3H3
InChIKeyQWVUGTNKWDWWJN-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.32
Rot. Bonds

About 1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine

1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine (PubChem CID 149110863) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine
PubChem CID149110863
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine
SMILESCC1=NCN(C)C2C(C)=NC=CC12
InChIInChI=1S/C10H15N3/c1-7-9-4-5-11-8(2)10(9)13(3)6-12-7/h4-5,9-10H,6H2,1-3H3
InChIKeyQWVUGTNKWDWWJN-UHFFFAOYSA-N
XLogP1.32
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine (CID 149110863) is 1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine is CC1=NCN(C)C2C(C)=NC=CC12.
What is the InChIKey of 1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine?
The InChIKey is QWVUGTNKWDWWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-7-9-4-5-11-8(2)10(9)13(3)6-12-7/h4-5,9-10H,6H2,1-3H3.
What are the key properties of 1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine?
1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine has a molecular weight of 177.25 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8-trimethyl-4a,8a-dihydro-2H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 149110863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).