6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine

C20H24N6O3 — CID 166241664

IUPAC6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(Oc4ncc(C)cn4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C20H24N6O3/c1-12-10-22-20(23-11-12)29-13-4-6-26(7-5-13)19-24-15-9-17(28-3)16(27-2)8-14(15)18(21)25-19/h8-11,13H,4-7H2,1-3H3,(H2,21,24,25)
InChIKeyKWRJQFSQZACFOR-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.38
Rot. Bonds5

About 6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine

6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine (PubChem CID 166241664) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine
PubChem CID166241664
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine
SMILESCOc1cc2nc(N3CCC(Oc4ncc(C)cn4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C20H24N6O3/c1-12-10-22-20(23-11-12)29-13-4-6-26(7-5-13)19-24-15-9-17(28-3)16(27-2)8-14(15)18(21)25-19/h8-11,13H,4-7H2,1-3H3,(H2,21,24,25)
InChIKeyKWRJQFSQZACFOR-UHFFFAOYSA-N
XLogP2.38
TPSA108.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine (CID 166241664) is 6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine is COc1cc2nc(N3CCC(Oc4ncc(C)cn4)CC3)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine?
The InChIKey is KWRJQFSQZACFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-12-10-22-20(23-11-12)29-13-4-6-26(7-5-13)19-24-15-9-17(28-3)16(27-2)8-14(15)18(21)25-19/h8-11,13H,4-7H2,1-3H3,(H2,21,24,25).
What are the key properties of 6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine?
6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine has a molecular weight of 396.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 166241664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).