[(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone

C18H23N5O2 — CID 124943621

IUPAC[(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone
SMILESCN(C)c1cc(C[C@H]2COCCN(C(=O)c3ccncc3)C2)ncn1
InChIInChI=1S/C18H23N5O2/c1-22(2)17-10-16(20-13-21-17)9-14-11-23(7-8-25-12-14)18(24)15-3-5-19-6-4-15/h3-6,10,13-14H,7-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyBEAAGIMEMQTBEK-CQSZACIVSA-N
MW341.42 g/mol
LogP1.27
Rot. Bonds4

About [(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone

[(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone (PubChem CID 124943621) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone
PubChem CID124943621
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone
SMILESCN(C)c1cc(C[C@H]2COCCN(C(=O)c3ccncc3)C2)ncn1
InChIInChI=1S/C18H23N5O2/c1-22(2)17-10-16(20-13-21-17)9-14-11-23(7-8-25-12-14)18(24)15-3-5-19-6-4-15/h3-6,10,13-14H,7-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyBEAAGIMEMQTBEK-CQSZACIVSA-N
XLogP1.27
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 110272129
[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 95848122
4-[[4-(pyridine-4-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrimidin-6-one
CID 136844179
[(6R)-6-[[6-(methylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-3-ylmethanone
CID 124972965
pyridin-3-yl-[(6R)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 95848103
(6-methyl-2-pyridinyl)-[(6S)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 95848128
(2-methyl-3-pyridinyl)-[(6R)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124989259
[(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone
CID 95847965
[(6S)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 124951124
1-[(6S)-6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]-3-phenoxypropan-1-one
CID 124974870
2-(4-fluorophenyl)-1-[(6S)-6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]ethanone
CID 124947573
1-[6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110115319

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone (CID 124943621) is [(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone is CN(C)c1cc(C[C@H]2COCCN(C(=O)c3ccncc3)C2)ncn1.
What is the InChIKey of [(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone?
The InChIKey is BEAAGIMEMQTBEK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(2)17-10-16(20-13-21-17)9-14-11-23(7-8-25-12-14)18(24)15-3-5-19-6-4-15/h3-6,10,13-14H,7-9,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of [(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone?
[(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone has a molecular weight of 341.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 124943621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).