4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine

C16H23N5O — CID 44592031

IUPAC4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCOCCNc1cc2c(NC3CCCCC3)ncnc2cn1
InChIInChI=1S/C16H23N5O/c1-22-8-7-17-15-9-13-14(10-18-15)19-11-20-16(13)21-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,17,18)(H,19,20,21)
InChIKeyCWBRSHBXLYLKEG-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.83
Rot. Bonds6

About 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine

4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 44592031) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID44592031
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCOCCNc1cc2c(NC3CCCCC3)ncnc2cn1
InChIInChI=1S/C16H23N5O/c1-22-8-7-17-15-9-13-14(10-18-15)19-11-20-16(13)21-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,17,18)(H,19,20,21)
InChIKeyCWBRSHBXLYLKEG-UHFFFAOYSA-N
XLogP2.83
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine (CID 44592031) is 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine is COCCNc1cc2c(NC3CCCCC3)ncnc2cn1.
What is the InChIKey of 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is CWBRSHBXLYLKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-22-8-7-17-15-9-13-14(10-18-15)19-11-20-16(13)21-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,17,18)(H,19,20,21).
What are the key properties of 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 301.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 44592031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).