[2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone

C19H18ClF3N4O2 — CID 166884419

IUPAC[2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
SMILESO=C(c1cnc(NC2Cc3cc(Cl)cc(C(F)(F)F)c3C2)nc1)N1CCCOC1
InChIInChI=1S/C19H18ClF3N4O2/c20-13-4-11-5-14(7-15(11)16(6-13)19(21,22)23)26-18-24-8-12(9-25-18)17(28)27-2-1-3-29-10-27/h4,6,8-9,14H,1-3,5,7,10H2,(H,24,25,26)
InChIKeyULTNIIYQAGFGRR-UHFFFAOYSA-N
MW426.83 g/mol
LogP3.55
Rot. Bonds3

About [2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone

[2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone (PubChem CID 166884419) has the molecular formula C19H18ClF3N4O2 and a molecular weight of 426.83 g/mol. Its IUPAC name is [2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone.

Molecular Properties

Compound Name[2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
PubChem CID166884419
Molecular FormulaC19H18ClF3N4O2
Molecular Weight426.83 g/mol
Exact Mass426.11
IUPAC Name[2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
SMILESO=C(c1cnc(NC2Cc3cc(Cl)cc(C(F)(F)F)c3C2)nc1)N1CCCOC1
InChIInChI=1S/C19H18ClF3N4O2/c20-13-4-11-5-14(7-15(11)16(6-13)19(21,22)23)26-18-24-8-12(9-25-18)17(28)27-2-1-3-29-10-27/h4,6,8-9,14H,1-3,5,7,10H2,(H,24,25,26)
InChIKeyULTNIIYQAGFGRR-UHFFFAOYSA-N
XLogP3.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.83
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?
The IUPAC name of [2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone (CID 166884419) is [2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone.
What is the SMILES notation for [2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?
The canonical SMILES for [2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone is O=C(c1cnc(NC2Cc3cc(Cl)cc(C(F)(F)F)c3C2)nc1)N1CCCOC1.
What is the InChIKey of [2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?
The InChIKey is ULTNIIYQAGFGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4O2/c20-13-4-11-5-14(7-15(11)16(6-13)19(21,22)23)26-18-24-8-12(9-25-18)17(28)27-2-1-3-29-10-27/h4,6,8-9,14H,1-3,5,7,10H2,(H,24,25,26).
What are the key properties of [2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?
[2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone has a molecular weight of 426.83 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-chloro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone is sourced from PubChem (CID 166884419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).