[2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone

C21H24N4O2 — CID 154933111

IUPAC[2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
SMILESO=C(c1cnc(NC2Cc3ccc(C4CC4)cc3C2)nc1)N1CCCOC1
InChIInChI=1S/C21H24N4O2/c26-20(25-6-1-7-27-13-25)18-11-22-21(23-12-18)24-19-9-16-5-4-15(14-2-3-14)8-17(16)10-19/h4-5,8,11-12,14,19H,1-3,6-7,9-10,13H2,(H,22,23,24)
InChIKeyGCMUJTBBUADSKG-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.75
Rot. Bonds4

About [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone

[2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone (PubChem CID 154933111) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone.

Molecular Properties

Compound Name[2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
PubChem CID154933111
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
SMILESO=C(c1cnc(NC2Cc3ccc(C4CC4)cc3C2)nc1)N1CCCOC1
InChIInChI=1S/C21H24N4O2/c26-20(25-6-1-7-27-13-25)18-11-22-21(23-12-18)24-19-9-16-5-4-15(14-2-3-14)8-17(16)10-19/h4-5,8,11-12,14,19H,1-3,6-7,9-10,13H2,(H,22,23,24)
InChIKeyGCMUJTBBUADSKG-UHFFFAOYSA-N
XLogP2.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?
The IUPAC name of [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone (CID 154933111) is [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone.
What is the SMILES notation for [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?
The canonical SMILES for [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone is O=C(c1cnc(NC2Cc3ccc(C4CC4)cc3C2)nc1)N1CCCOC1.
What is the InChIKey of [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?
The InChIKey is GCMUJTBBUADSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(25-6-1-7-27-13-25)18-11-22-21(23-12-18)24-19-9-16-5-4-15(14-2-3-14)8-17(16)10-19/h4-5,8,11-12,14,19H,1-3,6-7,9-10,13H2,(H,22,23,24).
What are the key properties of [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?
[2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone is sourced from PubChem (CID 154933111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).