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

C19H23F3N6O2 — CID 118049974

IUPACN-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(N2CCC(Nc3ncc4c(n3)N(CC(F)(F)F)CCO4)CC2)ccn1
InChIInChI=1S/C19H23F3N6O2/c1-29-16-10-14(2-5-23-16)27-6-3-13(4-7-27)25-18-24-11-15-17(26-18)28(8-9-30-15)12-19(20,21)22/h2,5,10-11,13H,3-4,6-9,12H2,1H3,(H,24,25,26)
InChIKeyXBXHOLRCMKVVOW-UHFFFAOYSA-N
MW424.43 g/mol
LogP2.72
Rot. Bonds5

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

N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118049974) has the molecular formula C19H23F3N6O2 and a molecular weight of 424.43 g/mol. Its IUPAC name is N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID118049974
Molecular FormulaC19H23F3N6O2
Molecular Weight424.43 g/mol
Exact Mass424.18
IUPAC NameN-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(N2CCC(Nc3ncc4c(n3)N(CC(F)(F)F)CCO4)CC2)ccn1
InChIInChI=1S/C19H23F3N6O2/c1-29-16-10-14(2-5-23-16)27-6-3-13(4-7-27)25-18-24-11-15-17(26-18)28(8-9-30-15)12-19(20,21)22/h2,5,10-11,13H,3-4,6-9,12H2,1H3,(H,24,25,26)
InChIKeyXBXHOLRCMKVVOW-UHFFFAOYSA-N
XLogP2.72
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118049974) is N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1cc(N2CCC(Nc3ncc4c(n3)N(CC(F)(F)F)CCO4)CC2)ccn1.
What is the InChIKey of N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is XBXHOLRCMKVVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O2/c1-29-16-10-14(2-5-23-16)27-6-3-13(4-7-27)25-18-24-11-15-17(26-18)28(8-9-30-15)12-19(20,21)22/h2,5,10-11,13H,3-4,6-9,12H2,1H3,(H,24,25,26).
What are the key properties of N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 424.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2,2,2-trifluoroethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118049974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).