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

C20H24N6O2 — CID 11337983

IUPAC6-(3,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCC(C)CC4)c3n2)cc1OC
InChIInChI=1S/C20H24N6O2/c1-12-6-8-26(9-7-12)19-17-18(24-20(21)25-19)22-11-14(23-17)13-4-5-15(27-2)16(10-13)28-3/h4-5,10-12H,6-9H2,1-3H3,(H2,21,22,24,25)
InChIKeyWLKMWPJQTTWACT-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.92
Rot. Bonds4

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

6-(3,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine (PubChem CID 11337983) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine
PubChem CID11337983
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name6-(3,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCC(C)CC4)c3n2)cc1OC
InChIInChI=1S/C20H24N6O2/c1-12-6-8-26(9-7-12)19-17-18(24-20(21)25-19)22-11-14(23-17)13-4-5-15(27-2)16(10-13)28-3/h4-5,10-12H,6-9H2,1-3H3,(H2,21,22,24,25)
InChIKeyWLKMWPJQTTWACT-UHFFFAOYSA-N
XLogP2.92
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(3,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine 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 6-(3,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine (CID 11337983) is 6-(3,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine is COc1ccc(-c2cnc3nc(N)nc(N4CCC(C)CC4)c3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine?
The InChIKey is WLKMWPJQTTWACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-12-6-8-26(9-7-12)19-17-18(24-20(21)25-19)22-11-14(23-17)13-4-5-15(27-2)16(10-13)28-3/h4-5,10-12H,6-9H2,1-3H3,(H2,21,22,24,25).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine?
6-(3,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine has a molecular weight of 380.45 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine is sourced from PubChem (CID 11337983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).