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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Related Compounds

7-Cyclopentyl-5-(4-phenoxy)phenyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamine
CID 6603792
2,4-Disubstituted Pyrimidine 2g
CID 5329420
Type II inhibitor, 5
CID 16061468
5-[(1E)-(methoxyimino)methyl]-6-[(1-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646048
7-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646630
N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875107
N-(4-((2-((4-(4-Methylpiperazin-1-Yl)phenyl)amino)-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)oxy)phenyl)acrylamide
CID 122490483
N-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
CID 141025097
N-[4-(4-methoxyphenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162640227
Ttbk1-IN-2
CID 162679313
7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 19597433
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355

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).