ethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane

C19H30N4O2 — CID 170726676

IUPACethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane
SMILESCC.CCc1nc(N2CCOCC(C)C2)c2c(OC)nc(C)cc2n1
InChIInChI=1S/C17H24N4O2.C2H6/c1-5-14-19-13-8-12(3)18-17(22-4)15(13)16(20-14)21-6-7-23-10-11(2)9-21;1-2/h8,11H,5-7,9-10H2,1-4H3;1-2H3
InChIKeyQFHGFBWUQNVSLL-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.40
Rot. Bonds3

About ethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane

ethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane (PubChem CID 170726676) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is ethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane.

Molecular Properties

Compound Nameethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane
PubChem CID170726676
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Nameethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane
SMILESCC.CCc1nc(N2CCOCC(C)C2)c2c(OC)nc(C)cc2n1
InChIInChI=1S/C17H24N4O2.C2H6/c1-5-14-19-13-8-12(3)18-17(22-4)15(13)16(20-14)21-6-7-23-10-11(2)9-21;1-2/h8,11H,5-7,9-10H2,1-4H3;1-2H3
InChIKeyQFHGFBWUQNVSLL-UHFFFAOYSA-N
XLogP3.40
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane with MolForge

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Related Compounds

ethane;4-(5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane
CID 170726894
ethane;4-(5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)-1,4-oxazepane-6-carbonitrile
CID 170726501
4-(2-ethoxy-7,8-dimethylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane
CID 176951390
4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine
CID 172597684
2-ethyl-4,6-dimethylpyrimidine
CID 23533396
N-ethyl-6-methyl-2-[(3-methylmorpholin-4-yl)methyl]pyrimidin-4-amine
CID 80657828
[(3S)-1-[1-(2-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95551659
2-[(6S)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 95721454
4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-methyl-1,4-oxazepane
CID 144717519
methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 114276570
ethane;4-(5-ethyl-2-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-1,4-oxazepan-7-one
CID 172597651
N-[(4,6-dimethyl-2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 62286271

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane?
The IUPAC name of ethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane (CID 170726676) is ethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane.
What is the SMILES notation for ethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane?
The canonical SMILES for ethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane is CC.CCc1nc(N2CCOCC(C)C2)c2c(OC)nc(C)cc2n1.
What is the InChIKey of ethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane?
The InChIKey is QFHGFBWUQNVSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.C2H6/c1-5-14-19-13-8-12(3)18-17(22-4)15(13)16(20-14)21-6-7-23-10-11(2)9-21;1-2/h8,11H,5-7,9-10H2,1-4H3;1-2H3.
What are the key properties of ethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane?
ethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane has a molecular weight of 346.48 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-ethyl-5-methoxy-7-methylpyrido[4,3-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepane is sourced from PubChem (CID 170726676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).