7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C16H18N4 — CID 57308498

IUPAC7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)Cn1cc(-c2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C16H18N4/c1-11(2)8-20-9-13(12-6-4-3-5-7-12)14-15(17)18-10-19-16(14)20/h3-7,9-11H,8H2,1-2H3,(H2,17,18,19)
InChIKeyMNWJIPUTTBEARG-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.34
Rot. Bonds3

About 7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 57308498) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID57308498
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)Cn1cc(-c2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C16H18N4/c1-11(2)8-20-9-13(12-6-4-3-5-7-12)14-15(17)18-10-19-16(14)20/h3-7,9-11H,8H2,1-2H3,(H2,17,18,19)
InChIKeyMNWJIPUTTBEARG-UHFFFAOYSA-N
XLogP3.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 11646472
(2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol
CID 44565856
(3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol
CID 57230556
7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54548436
7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54434264
5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 54420151
2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propane-1,3-diol
CID 19597498
[4-[2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]piperazin-1-yl] tert-butyl carbonate
CID 57165586
2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid
CID 156877075
4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 19597475
7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 70206153
3-(2-methylpropyl)-5-phenylimidazol-4-amine
CID 62017938

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 57308498) is 7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is CC(C)Cn1cc(-c2ccccc2)c2c(N)ncnc21.
What is the InChIKey of 7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MNWJIPUTTBEARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11(2)8-20-9-13(12-6-4-3-5-7-12)14-15(17)18-10-19-16(14)20/h3-7,9-11H,8H2,1-2H3,(H2,17,18,19).
What are the key properties of 7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 266.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57308498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).