4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane

C17H24N4O2 — CID 176951390

IUPAC4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane
SMILESCCOc1nc(N2CCOCC(C)C2)c2cnc(C)c(C)c2n1
InChIInChI=1S/C17H24N4O2/c1-5-23-17-19-15-12(3)13(4)18-8-14(15)16(20-17)21-6-7-22-10-11(2)9-21/h8,11H,5-7,9-10H2,1-4H3
InChIKeyNHKMQANFOIGXOZ-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.51
Rot. Bonds3

About 4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane

4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane (PubChem CID 176951390) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane.

Molecular Properties

Compound Name4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane
PubChem CID176951390
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane
SMILESCCOc1nc(N2CCOCC(C)C2)c2cnc(C)c(C)c2n1
InChIInChI=1S/C17H24N4O2/c1-5-23-17-19-15-12(3)13(4)18-8-14(15)16(20-17)21-6-7-22-10-11(2)9-21/h8,11H,5-7,9-10H2,1-4H3
InChIKeyNHKMQANFOIGXOZ-UHFFFAOYSA-N
XLogP2.51
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;methanol
CID 176951389
4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine
CID 10635583
4-[2,8-dimethyl-4-(6-methyl-1,4-oxazepan-4-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoro-7,8-dihydronaphthalen-2-amine
CID 176950944
ethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane
CID 170726676
4-[2-[[(4aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4a-yl]methoxy]-8-fluoro-4-(6-methyl-1,4-oxazepan-4-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-ol
CID 170956387
4-[8-fluoro-2-[[(6E,8S)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-7-[2-[(E)-4-fluoropent-3-en-1-yn-3-yl]-3-methylphenyl]pyrido[4,3-d]pyrimidin-4-yl]-6-methyl-1,4-oxazepane
CID 176951522
2-[8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(6-methyl-1,4-oxazepan-4-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]ethyl formate
CID 177326441
ethane;4-(5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane
CID 170726894
5-ethyl-1,6-difluoro-4-[8-fluoro-11-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-13-(6-methyl-1,4-oxazepan-4-yl)-5,6,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-7-yl]naphthalen-2-ol
CID 177199060
(5R)-4-(2,8-difluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-5,6-dimethyl-1,4-oxazepane;molecular hydrogen;hydrofluoride
CID 176951651
7-chloro-2-fluoro-8-methyl-4-(3-methylazepan-1-yl)pyrido[4,3-d]pyrimidine;methane
CID 176951731
(6S)-4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxy)-7-chloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-6-methyl-1,4-oxazepan-6-ol
CID 171613503

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane?
The IUPAC name of 4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane (CID 176951390) is 4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane.
What is the SMILES notation for 4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane?
The canonical SMILES for 4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane is CCOc1nc(N2CCOCC(C)C2)c2cnc(C)c(C)c2n1.
What is the InChIKey of 4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane?
The InChIKey is NHKMQANFOIGXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-5-23-17-19-15-12(3)13(4)18-8-14(15)16(20-17)21-6-7-22-10-11(2)9-21/h8,11H,5-7,9-10H2,1-4H3.
What are the key properties of 4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane?
4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane has a molecular weight of 316.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane is sourced from PubChem (CID 176951390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).