7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine

C21H25N7O2 — CID 126590821

IUPAC7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)N(C)C(C)(C2CCC2)CO3)cnc1-c1cn[nH]c1
InChIInChI=1S/C21H25N7O2/c1-21(14-5-4-6-14)12-30-17-11-23-20(27-19(17)28(21)2)26-15-7-16(29-3)18(22-10-15)13-8-24-25-9-13/h7-11,14H,4-6,12H2,1-3H3,(H,24,25)(H,23,26,27)
InChIKeyJWXPBMZZOYWMLP-UHFFFAOYSA-N
MW407.48 g/mol
LogP3.40
Rot. Bonds5

About 7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine

7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 126590821) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID126590821
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)N(C)C(C)(C2CCC2)CO3)cnc1-c1cn[nH]c1
InChIInChI=1S/C21H25N7O2/c1-21(14-5-4-6-14)12-30-17-11-23-20(27-19(17)28(21)2)26-15-7-16(29-3)18(22-10-15)13-8-24-25-9-13/h7-11,14H,4-6,12H2,1-3H3,(H,24,25)(H,23,26,27)
InChIKeyJWXPBMZZOYWMLP-UHFFFAOYSA-N
XLogP3.40
TPSA101.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine with MolForge

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Related Compounds

CID 126590823
CID 126590823
2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane];5-methoxy-6-(1-methylpyrazol-4-yl)pyridin-3-amine;N-[5-methoxy-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
CID 159982578
N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
CID 118238307
7-cyclobutyl-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 123938484
cyclobutane;N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
CID 144890322
7-cyclobutyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 123965914
2-chloro-7,7,8-trimethyl-6H-pyrimido[5,4-b][1,4]oxazine;3-methoxy-4-(4-methylimidazol-1-yl)aniline;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7,7,8-trimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine
CID 158772352
N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-(2,2,2-trifluoroethyl)spiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]-2-amine
CID 130455672
7-(4-fluoro-4-methylcyclohexyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 144890397
7-(3,5-difluorophenyl)-8-methoxy-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 126569337
7-(2-chloro-5-methoxyphenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246285
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

Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of 7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine (CID 126590821) is 7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for 7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for 7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine is COc1cc(Nc2ncc3c(n2)N(C)C(C)(C2CCC2)CO3)cnc1-c1cn[nH]c1.
What is the InChIKey of 7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is JWXPBMZZOYWMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-21(14-5-4-6-14)12-30-17-11-23-20(27-19(17)28(21)2)26-15-7-16(29-3)18(22-10-15)13-8-24-25-9-13/h7-11,14H,4-6,12H2,1-3H3,(H,24,25)(H,23,26,27).
What are the key properties of 7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine?
7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 407.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-N-[5-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dimethyl-6H-pyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 126590821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).