8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C23H25ClN6O2 — CID 118050068

IUPAC8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccc(Cl)cc3)CCO4)CC2)ccn1
InChIInChI=1S/C23H25ClN6O2/c1-31-21-14-19(6-9-25-21)29-10-7-17(8-11-29)27-23-26-15-20-22(28-23)30(12-13-32-20)18-4-2-16(24)3-5-18/h2-6,9,14-15,17H,7-8,10-13H2,1H3,(H,26,27,28)
InChIKeyXGTIADVQXSFLRF-UHFFFAOYSA-N
MW452.95 g/mol
LogP4.14
Rot. Bonds5

About 8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118050068) has the molecular formula C23H25ClN6O2 and a molecular weight of 452.95 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID118050068
Molecular FormulaC23H25ClN6O2
Molecular Weight452.95 g/mol
Exact Mass452.17
IUPAC Name8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccc(Cl)cc3)CCO4)CC2)ccn1
InChIInChI=1S/C23H25ClN6O2/c1-31-21-14-19(6-9-25-21)29-10-7-17(8-11-29)27-23-26-15-20-22(28-23)30(12-13-32-20)18-4-2-16(24)3-5-18/h2-6,9,14-15,17H,7-8,10-13H2,1H3,(H,26,27,28)
InChIKeyXGTIADVQXSFLRF-UHFFFAOYSA-N
XLogP4.14
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of 8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118050068) is 8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for 8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for 8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccc(Cl)cc3)CCO4)CC2)ccn1.
What is the InChIKey of 8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is XGTIADVQXSFLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O2/c1-31-21-14-19(6-9-25-21)29-10-7-17(8-11-29)27-23-26-15-20-22(28-23)30(12-13-32-20)18-4-2-16(24)3-5-18/h2-6,9,14-15,17H,7-8,10-13H2,1H3,(H,26,27,28).
What are the key properties of 8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 452.95 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118050068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).