6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine

C23H31N7O2 — CID 69458973

IUPAC6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine
SMILESCCCCCN1CCN(c2nc(N)nc3ncc(-c4ccc(OC)c(OC)c4)nc23)CC1
InChIInChI=1S/C23H31N7O2/c1-4-5-6-9-29-10-12-30(13-11-29)22-20-21(27-23(24)28-22)25-15-17(26-20)16-7-8-18(31-2)19(14-16)32-3/h7-8,14-15H,4-6,9-13H2,1-3H3,(H2,24,25,27,28)
InChIKeyOMGIJCIPLSXJLM-UHFFFAOYSA-N
MW437.55 g/mol
LogP3.00
Rot. Bonds8

About 6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine

6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine (PubChem CID 69458973) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine
PubChem CID69458973
Molecular FormulaC23H31N7O2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC Name6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine
SMILESCCCCCN1CCN(c2nc(N)nc3ncc(-c4ccc(OC)c(OC)c4)nc23)CC1
InChIInChI=1S/C23H31N7O2/c1-4-5-6-9-29-10-12-30(13-11-29)22-20-21(27-23(24)28-22)25-15-17(26-20)16-7-8-18(31-2)19(14-16)32-3/h7-8,14-15H,4-6,9-13H2,1-3H3,(H2,24,25,27,28)
InChIKeyOMGIJCIPLSXJLM-UHFFFAOYSA-N
XLogP3.00
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine (CID 69458973) is 6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine is CCCCCN1CCN(c2nc(N)nc3ncc(-c4ccc(OC)c(OC)c4)nc23)CC1.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine?
The InChIKey is OMGIJCIPLSXJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-4-5-6-9-29-10-12-30(13-11-29)22-20-21(27-23(24)28-22)25-15-17(26-20)16-7-8-18(31-2)19(14-16)32-3/h7-8,14-15H,4-6,9-13H2,1-3H3,(H2,24,25,27,28).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine?
6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine has a molecular weight of 437.55 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-(4-pentylpiperazin-1-yl)pteridin-2-amine is sourced from PubChem (CID 69458973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).