ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C12H21N3 — CID 91352697

IUPACethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC.Cc1nc(C)c2c(n1)CN(C)CC2
InChIInChI=1S/C10H15N3.C2H6/c1-7-9-4-5-13(3)6-10(9)12-8(2)11-7;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyXPMPJGJLTVHCPN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.11
Rot. Bonds

About ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 91352697) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Nameethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID91352697
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Nameethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC.Cc1nc(C)c2c(n1)CN(C)CC2
InChIInChI=1S/C10H15N3.C2H6/c1-7-9-4-5-13(3)6-10(9)12-8(2)11-7;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyXPMPJGJLTVHCPN-UHFFFAOYSA-N
XLogP2.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 91352697) is ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC.Cc1nc(C)c2c(n1)CN(C)CC2.
What is the InChIKey of ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is XPMPJGJLTVHCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.C2H6/c1-7-9-4-5-13(3)6-10(9)12-8(2)11-7;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 207.32 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 91352697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).