7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

C17H19ClN4 — CID 160814416

IUPAC7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Cl)c(-c2cn(C(C)(C)C)c3ncnc(N)c23)c1
InChIInChI=1S/C17H19ClN4/c1-10-5-6-13(18)11(7-10)12-8-22(17(2,3)4)16-14(12)15(19)20-9-21-16/h5-9H,1-4H3,(H2,19,20,21)
InChIKeySESINZBUTUZGEL-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.40
Rot. Bonds1

About 7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 160814416) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID160814416
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Cl)c(-c2cn(C(C)(C)C)c3ncnc(N)c23)c1
InChIInChI=1S/C17H19ClN4/c1-10-5-6-13(18)11(7-10)12-8-22(17(2,3)4)16-14(12)15(19)20-9-21-16/h5-9H,1-4H3,(H2,19,20,21)
InChIKeySESINZBUTUZGEL-UHFFFAOYSA-N
XLogP4.40
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 152920189
7-tert-butyl-5-[2-(3-chloro-4-phenoxyphenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 139894732
7-tert-butyl-5-[4-(2-chlorophenoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 19597385
bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane
CID 159363848
7-tert-butyl-5-(3-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 19597449
2-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-5-(3-chlorophenoxy)benzamide
CID 19597443
4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 139331190
1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 121242363
5-benzyl-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;ethane
CID 158005663
5-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-2-phenoxybenzamide
CID 19597381
5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 167544912
3-(4-amino-2-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139562099

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 160814416) is 7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(Cl)c(-c2cn(C(C)(C)C)c3ncnc(N)c23)c1.
What is the InChIKey of 7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SESINZBUTUZGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-10-5-6-13(18)11(7-10)12-8-22(17(2,3)4)16-14(12)15(19)20-9-21-16/h5-9H,1-4H3,(H2,19,20,21).
What are the key properties of 7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 314.82 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 160814416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).