N-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine

C16H22N4O2 — CID 44592033

IUPACN-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine
SMILESCOCCOc1cc2c(NC3CCCCC3)ncnc2cn1
InChIInChI=1S/C16H22N4O2/c1-21-7-8-22-15-9-13-14(10-17-15)18-11-19-16(13)20-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,18,19,20)
InChIKeyWWFOQFMRWGOZSM-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.79
Rot. Bonds6

About N-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine

N-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 44592033) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID44592033
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine
SMILESCOCCOc1cc2c(NC3CCCCC3)ncnc2cn1
InChIInChI=1S/C16H22N4O2/c1-21-7-8-22-15-9-13-14(10-17-15)18-11-19-16(13)20-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,18,19,20)
InChIKeyWWFOQFMRWGOZSM-UHFFFAOYSA-N
XLogP2.79
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
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 N-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine (CID 44592033) is N-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine is COCCOc1cc2c(NC3CCCCC3)ncnc2cn1.
What is the InChIKey of N-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is WWFOQFMRWGOZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-21-7-8-22-15-9-13-14(10-17-15)18-11-19-16(13)20-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,18,19,20).
What are the key properties of N-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine?
N-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 44592033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).