N,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline

C17H20N4O — CID 71462270

IUPACN,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline
SMILESCC(C)n1ccc2c(Oc3ccc(N(C)C)cc3)ncnc21
InChIInChI=1S/C17H20N4O/c1-12(2)21-10-9-15-16(21)18-11-19-17(15)22-14-7-5-13(6-8-14)20(3)4/h5-12H,1-4H3
InChIKeyNWAJWPWBSUPMGL-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.87
Rot. Bonds4

About N,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline

N,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline (PubChem CID 71462270) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline
PubChem CID71462270
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline
SMILESCC(C)n1ccc2c(Oc3ccc(N(C)C)cc3)ncnc21
InChIInChI=1S/C17H20N4O/c1-12(2)21-10-9-15-16(21)18-11-19-17(15)22-14-7-5-13(6-8-14)20(3)4/h5-12H,1-4H3
InChIKeyNWAJWPWBSUPMGL-UHFFFAOYSA-N
XLogP3.87
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline?
The IUPAC name of N,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline (CID 71462270) is N,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline.
What is the SMILES notation for N,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline?
The canonical SMILES for N,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline is CC(C)n1ccc2c(Oc3ccc(N(C)C)cc3)ncnc21.
What is the InChIKey of N,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline?
The InChIKey is NWAJWPWBSUPMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12(2)21-10-9-15-16(21)18-11-19-17(15)22-14-7-5-13(6-8-14)20(3)4/h5-12H,1-4H3.
What are the key properties of N,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline?
N,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline has a molecular weight of 296.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 71462270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).