4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine

C19H21N5O — CID 11404904

IUPAC4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCOCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
InChIInChI=1S/C19H21N5O/c1-25-7-6-20-18-10-16-17(11-21-18)22-12-23-19(16)24-15-8-13-4-2-3-5-14(13)9-15/h2-5,10-12,15H,6-9H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyFKDAZCINVHHUJM-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.66
Rot. Bonds6

About 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine

4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 11404904) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID11404904
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCOCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
InChIInChI=1S/C19H21N5O/c1-25-7-6-20-18-10-16-17(11-21-18)22-12-23-19(16)24-15-8-13-4-2-3-5-14(13)9-15/h2-5,10-12,15H,6-9H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyFKDAZCINVHHUJM-UHFFFAOYSA-N
XLogP2.66
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine (CID 11404904) is 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine is COCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1.
What is the InChIKey of 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is FKDAZCINVHHUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-25-7-6-20-18-10-16-17(11-21-18)22-12-23-19(16)24-15-8-13-4-2-3-5-14(13)9-15/h2-5,10-12,15H,6-9H2,1H3,(H,20,21)(H,22,23,24).
What are the key properties of 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 335.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1H-inden-2-yl)-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 11404904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).