7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

C13H19N5O2 — CID 54452472

IUPAC7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1nc2nc(N)nc(N)c2c(C)c1COCOC
InChIInChI=1S/C13H19N5O2/c1-4-9-8(5-20-6-19-3)7(2)10-11(14)17-13(15)18-12(10)16-9/h4-6H2,1-3H3,(H4,14,15,16,17,18)
InChIKeyWVWVAESBZCEORZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.18
Rot. Bonds5

About 7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 54452472) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID54452472
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1nc2nc(N)nc(N)c2c(C)c1COCOC
InChIInChI=1S/C13H19N5O2/c1-4-9-8(5-20-6-19-3)7(2)10-11(14)17-13(15)18-12(10)16-9/h4-6H2,1-3H3,(H4,14,15,16,17,18)
InChIKeyWVWVAESBZCEORZ-UHFFFAOYSA-N
XLogP1.18
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 54452472) is 7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine is CCc1nc2nc(N)nc(N)c2c(C)c1COCOC.
What is the InChIKey of 7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is WVWVAESBZCEORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-9-8(5-20-6-19-3)7(2)10-11(14)17-13(15)18-12(10)16-9/h4-6H2,1-3H3,(H4,14,15,16,17,18).
What are the key properties of 7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 277.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-(methoxymethoxymethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 54452472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).