7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen

C26H26FN5O — CID 144890263

IUPAC7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
SMILESCc1cc(-c2ccc(Nc3ncc4c(n3)N(C)C(Cc3ccccc3)CO4)cc2F)ccn1.[H][H]
InChIInChI=1S/C26H24FN5O.H2/c1-17-12-19(10-11-28-17)22-9-8-20(14-23(22)27)30-26-29-15-24-25(31-26)32(2)21(16-33-24)13-18-6-4-3-5-7-18;/h3-12,14-15,21H,13,16H2,1-2H3,(H,29,30,31);1H
InChIKeyYAAWTHZIKACECX-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.42
Rot. Bonds5

About 7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen

7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen (PubChem CID 144890263) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen.

Molecular Properties

Compound Name7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
PubChem CID144890263
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
SMILESCc1cc(-c2ccc(Nc3ncc4c(n3)N(C)C(Cc3ccccc3)CO4)cc2F)ccn1.[H][H]
InChIInChI=1S/C26H24FN5O.H2/c1-17-12-19(10-11-28-17)22-9-8-20(14-23(22)27)30-26-29-15-24-25(31-26)32(2)21(16-33-24)13-18-6-4-3-5-7-18;/h3-12,14-15,21H,13,16H2,1-2H3,(H,29,30,31);1H
InChIKeyYAAWTHZIKACECX-UHFFFAOYSA-N
XLogP5.42
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen with MolForge

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Related Compounds

2-chloro-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine;methane;3-methoxy-4-(2-methyl-4-pyridinyl)aniline;N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 158044675
(7R)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-7-(phenoxymethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246283
(7S)-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7,8-dimethyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 144890302
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
7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 123144528
N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 141306433
8-(2-methylphenyl)-N-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118056309
8-(2-chlorophenyl)-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-amine
CID 71009369
7-(2,4-difluorophenyl)-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246089
7-(2-chloro-4-fluorophenyl)-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246396
N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-[5-fluoro-2-(trifluoromethyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246070
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

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen?
The IUPAC name of 7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen (CID 144890263) is 7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen.
What is the SMILES notation for 7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen?
The canonical SMILES for 7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen is Cc1cc(-c2ccc(Nc3ncc4c(n3)N(C)C(Cc3ccccc3)CO4)cc2F)ccn1.[H][H].
What is the InChIKey of 7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen?
The InChIKey is YAAWTHZIKACECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O.H2/c1-17-12-19(10-11-28-17)22-9-8-20(14-23(22)27)30-26-29-15-24-25(31-26)32(2)21(16-33-24)13-18-6-4-3-5-7-18;/h3-12,14-15,21H,13,16H2,1-2H3,(H,29,30,31);1H.
What are the key properties of 7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen?
7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen has a molecular weight of 443.53 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-N-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen is sourced from PubChem (CID 144890263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).