2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine

C21H24N6O — CID 16910815

IUPAC2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NCCC3=CCCCC3)nc3nccnc23)cc1
InChIInChI=1S/C21H24N6O/c1-28-17-9-7-16(8-10-17)25-20-18-19(23-14-13-22-18)26-21(27-20)24-12-11-15-5-3-2-4-6-15/h5,7-10,13-14H,2-4,6,11-12H2,1H3,(H2,23,24,25,26,27)
InChIKeyWUPTVEPFVSQCDY-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.47
Rot. Bonds7

About 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine

2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine (PubChem CID 16910815) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
PubChem CID16910815
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NCCC3=CCCCC3)nc3nccnc23)cc1
InChIInChI=1S/C21H24N6O/c1-28-17-9-7-16(8-10-17)25-20-18-19(23-14-13-22-18)26-21(27-20)24-12-11-15-5-3-2-4-6-15/h5,7-10,13-14H,2-4,6,11-12H2,1H3,(H2,23,24,25,26,27)
InChIKeyWUPTVEPFVSQCDY-UHFFFAOYSA-N
XLogP4.47
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pteridine-2,4-diamine
CID 16910687
4-N-(4-chloro-2-methylphenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pteridine-2,4-diamine
CID 16911060
2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
CID 16910827
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109299415
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911101
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109251111
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112856556
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112885606
2-[2-[[4-(4-methylanilino)pteridin-2-yl]amino]ethoxy]ethanol
CID 16910759
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyanilino)pyridine-4-carboxamide
CID 109166615
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112885458
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885561

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine?
The IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine (CID 16910815) is 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine?
The canonical SMILES for 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine is COc1ccc(Nc2nc(NCCC3=CCCCC3)nc3nccnc23)cc1.
What is the InChIKey of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine?
The InChIKey is WUPTVEPFVSQCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-28-17-9-7-16(8-10-17)25-20-18-19(23-14-13-22-18)26-21(27-20)24-12-11-15-5-3-2-4-6-15/h5,7-10,13-14H,2-4,6,11-12H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine?
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine has a molecular weight of 376.46 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-methoxyphenyl)pteridine-2,4-diamine is sourced from PubChem (CID 16910815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).