8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine

C17H19N5 — CID 142502191

IUPAC8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCCNc1nc(C)cc2cnc(Nc3ccccc3C)nc12
InChIInChI=1S/C17H19N5/c1-4-18-16-15-13(9-12(3)20-16)10-19-17(22-15)21-14-8-6-5-7-11(14)2/h5-10H,4H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyDLEHFGMPALEPFO-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.82
Rot. Bonds4

About 8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine

8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 142502191) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID142502191
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCCNc1nc(C)cc2cnc(Nc3ccccc3C)nc12
InChIInChI=1S/C17H19N5/c1-4-18-16-15-13(9-12(3)20-16)10-19-17(22-15)21-14-8-6-5-7-11(14)2/h5-10H,4H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyDLEHFGMPALEPFO-UHFFFAOYSA-N
XLogP3.82
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine (CID 142502191) is 8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine is CCNc1nc(C)cc2cnc(Nc3ccccc3C)nc12.
What is the InChIKey of 8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is DLEHFGMPALEPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-4-18-16-15-13(9-12(3)20-16)10-19-17(22-15)21-14-8-6-5-7-11(14)2/h5-10H,4H2,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of 8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine?
8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 293.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 142502191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).