8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C23H24F3N7O — CID 118372943

IUPAC8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCc1cc(N2CCC(Nc3ncc4c(n3)N(C)C(c3cc(F)c(F)c(F)c3)CO4)CC2)ncn1
InChIInChI=1S/C23H24F3N7O/c1-13-7-20(29-12-28-13)33-5-3-15(4-6-33)30-23-27-10-19-22(31-23)32(2)18(11-34-19)14-8-16(24)21(26)17(25)9-14/h7-10,12,15,18H,3-6,11H2,1-2H3,(H,27,30,31)
InChIKeyHIZFRFBGBVSHCZ-UHFFFAOYSA-N
MW471.49 g/mol
LogP3.64
Rot. Bonds4

About 8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118372943) has the molecular formula C23H24F3N7O and a molecular weight of 471.49 g/mol. Its IUPAC name is 8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID118372943
Molecular FormulaC23H24F3N7O
Molecular Weight471.49 g/mol
Exact Mass471.20
IUPAC Name8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCc1cc(N2CCC(Nc3ncc4c(n3)N(C)C(c3cc(F)c(F)c(F)c3)CO4)CC2)ncn1
InChIInChI=1S/C23H24F3N7O/c1-13-7-20(29-12-28-13)33-5-3-15(4-6-33)30-23-27-10-19-22(31-23)32(2)18(11-34-19)14-8-16(24)21(26)17(25)9-14/h7-10,12,15,18H,3-6,11H2,1-2H3,(H,27,30,31)
InChIKeyHIZFRFBGBVSHCZ-UHFFFAOYSA-N
XLogP3.64
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine with MolForge

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Related Compounds

7-[(3E)-hexa-1,3,5-trien-3-yl]-8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
CID 144921650
7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118372944
8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118055020
N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118055026
7-(3,5-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118245962
N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141318206
5-[[7-(3,5-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-yl]amino]-2-(4-methylimidazol-1-yl)benzonitrile
CID 118237949
N-[1-[2-(cyclobutylmethoxy)-4-pyridinyl]piperidin-4-yl]-8-methyl-7-(oxan-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 144921627
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118054994
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
N-[4-(2-methyl-4-pyridinyl)phenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118056273

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of 8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118372943) is 8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for 8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for 8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is Cc1cc(N2CCC(Nc3ncc4c(n3)N(C)C(c3cc(F)c(F)c(F)c3)CO4)CC2)ncn1.
What is the InChIKey of 8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is HIZFRFBGBVSHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O/c1-13-7-20(29-12-28-13)33-5-3-15(4-6-33)30-23-27-10-19-22(31-23)32(2)18(11-34-19)14-8-16(24)21(26)17(25)9-14/h7-10,12,15,18H,3-6,11H2,1-2H3,(H,27,30,31).
What are the key properties of 8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 471.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118372943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).