4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine

C22H28N6O2 — CID 166630616

IUPAC4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc2ccc(Cc3ccc(CN4CCOCC4)cc3)nc12
InChIInChI=1S/C22H28N6O2/c1-29-11-8-24-21-20-19(26-22(23)27-21)7-6-18(25-20)14-16-2-4-17(5-3-16)15-28-9-12-30-13-10-28/h2-7H,8-15H2,1H3,(H3,23,24,26,27)
InChIKeyBQAOBSIRZYMYIO-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.09
Rot. Bonds8

About 4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine

4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 166630616) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID166630616
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc2ccc(Cc3ccc(CN4CCOCC4)cc3)nc12
InChIInChI=1S/C22H28N6O2/c1-29-11-8-24-21-20-19(26-22(23)27-21)7-6-18(25-20)14-16-2-4-17(5-3-16)15-28-9-12-30-13-10-28/h2-7H,8-15H2,1H3,(H3,23,24,26,27)
InChIKeyBQAOBSIRZYMYIO-UHFFFAOYSA-N
XLogP2.09
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine (CID 166630616) is 4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine is COCCNc1nc(N)nc2ccc(Cc3ccc(CN4CCOCC4)cc3)nc12.
What is the InChIKey of 4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is BQAOBSIRZYMYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-29-11-8-24-21-20-19(26-22(23)27-21)7-6-18(25-20)14-16-2-4-17(5-3-16)15-28-9-12-30-13-10-28/h2-7H,8-15H2,1H3,(H3,23,24,26,27).
What are the key properties of 4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 408.51 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 166630616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).