ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C12H23N3 — CID 143170671

IUPACethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC.CC.CN1CCc2cncnc2C1
InChIInChI=1S/C8H11N3.2C2H6/c1-11-3-2-7-4-9-6-10-8(7)5-11;2*1-2/h4,6H,2-3,5H2,1H3;2*1-2H3
InChIKeyPERLMWBEFLNYAY-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.52
Rot. Bonds

About ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 143170671) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Nameethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID143170671
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Nameethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC.CC.CN1CCc2cncnc2C1
InChIInChI=1S/C8H11N3.2C2H6/c1-11-3-2-7-4-9-6-10-8(7)5-11;2*1-2/h4,6H,2-3,5H2,1H3;2*1-2H3
InChIKeyPERLMWBEFLNYAY-UHFFFAOYSA-N
XLogP2.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 143170671) is ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC.CC.CN1CCc2cncnc2C1.
What is the InChIKey of ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is PERLMWBEFLNYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.2C2H6/c1-11-3-2-7-4-9-6-10-8(7)5-11;2*1-2/h4,6H,2-3,5H2,1H3;2*1-2H3.
What are the key properties of ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 209.34 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 143170671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).