1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone

C15H23N7O3 — CID 166898238

IUPAC1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncnc3c(NC[C@H](O)CN)noc23)CC1
InChIInChI=1S/C15H23N7O3/c1-9(23)22-4-2-10(3-5-22)20-15-13-12(18-8-19-15)14(21-25-13)17-7-11(24)6-16/h8,10-11,24H,2-7,16H2,1H3,(H,17,21)(H,18,19,20)/t11-/m1/s1
InChIKeyNRZFFXVWDSLGAK-LLVKDONJSA-N
MW349.40 g/mol
LogP-0.23
Rot. Bonds6

About 1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone

1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone (PubChem CID 166898238) has the molecular formula C15H23N7O3 and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
PubChem CID166898238
Molecular FormulaC15H23N7O3
Molecular Weight349.40 g/mol
Exact Mass349.19
IUPAC Name1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncnc3c(NC[C@H](O)CN)noc23)CC1
InChIInChI=1S/C15H23N7O3/c1-9(23)22-4-2-10(3-5-22)20-15-13-12(18-8-19-15)14(21-25-13)17-7-11(24)6-16/h8,10-11,24H,2-7,16H2,1H3,(H,17,21)(H,18,19,20)/t11-/m1/s1
InChIKeyNRZFFXVWDSLGAK-LLVKDONJSA-N
XLogP-0.23
TPSA142.43 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone (CID 166898238) is 1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ncnc3c(NC[C@H](O)CN)noc23)CC1.
What is the InChIKey of 1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is NRZFFXVWDSLGAK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N7O3/c1-9(23)22-4-2-10(3-5-22)20-15-13-12(18-8-19-15)14(21-25-13)17-7-11(24)6-16/h8,10-11,24H,2-7,16H2,1H3,(H,17,21)(H,18,19,20)/t11-/m1/s1.
What are the key properties of 1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 349.40 g/mol, XLogP of -0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 166898238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).