7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C24H24FN7O2 — CID 118246536

IUPAC7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1nc(Nc2ncc3c(n2)N(C)C(c2cc(C)cc(F)c2)CO3)ccc1-c1cnn(C)c1
InChIInChI=1S/C24H24FN7O2/c1-14-7-15(9-17(25)8-14)19-13-34-20-11-26-24(30-22(20)32(19)3)29-21-6-5-18(23(28-21)33-4)16-10-27-31(2)12-16/h5-12,19H,13H2,1-4H3,(H,26,28,29,30)
InChIKeyFRNYMKCKQZXZMD-UHFFFAOYSA-N
MW461.50 g/mol
LogP4.04
Rot. Bonds5

About 7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118246536) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID118246536
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1nc(Nc2ncc3c(n2)N(C)C(c2cc(C)cc(F)c2)CO3)ccc1-c1cnn(C)c1
InChIInChI=1S/C24H24FN7O2/c1-14-7-15(9-17(25)8-14)19-13-34-20-11-26-24(30-22(20)32(19)3)29-21-6-5-18(23(28-21)33-4)16-10-27-31(2)12-16/h5-12,19H,13H2,1-4H3,(H,26,28,29,30)
InChIKeyFRNYMKCKQZXZMD-UHFFFAOYSA-N
XLogP4.04
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine with MolForge

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Related Compounds

Dorsomorphin
CID 11524144
Pyrazolo[1,5-a]pyrimidine 4h
CID 5329453
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 72202254
5-[2-(dimethylamino)ethoxy]-2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
CID 72202696
(S)-3-(3,3-difluoropyrrolidin-1-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)-5'-H-spiro[chromeno[2,3-c]pyridine-5,4'-oxazol]-2'-amine
CID 53464257
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-fluoropyrrolidin-1-yl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53464567
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466120
(4S)-3'-(3,3-difluoropyrrolidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466300
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611179
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611462
US9765058, Example 2-2-10
CID 86580572

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of 7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118246536) is 7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for 7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for 7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1nc(Nc2ncc3c(n2)N(C)C(c2cc(C)cc(F)c2)CO3)ccc1-c1cnn(C)c1.
What is the InChIKey of 7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is FRNYMKCKQZXZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-14-7-15(9-17(25)8-14)19-13-34-20-11-26-24(30-22(20)32(19)3)29-21-6-5-18(23(28-21)33-4)16-10-27-31(2)12-16/h5-12,19H,13H2,1-4H3,(H,26,28,29,30).
What are the key properties of 7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 461.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-5-methylphenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118246536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).