7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine

C16H17N3 — CID 174558301

IUPAC7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine
SMILESCCC(C)(c1ccccc1)n1ccc2cncnc21
InChIInChI=1S/C16H17N3/c1-3-16(2,14-7-5-4-6-8-14)19-10-9-13-11-17-12-18-15(13)19/h4-12H,3H2,1-2H3
InChIKeyBMEDGOHVKSKNTJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.60
Rot. Bonds3

About 7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine

7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine (PubChem CID 174558301) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine
PubChem CID174558301
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine
SMILESCCC(C)(c1ccccc1)n1ccc2cncnc21
InChIInChI=1S/C16H17N3/c1-3-16(2,14-7-5-4-6-8-14)19-10-9-13-11-17-12-18-15(13)19/h4-12H,3H2,1-2H3
InChIKeyBMEDGOHVKSKNTJ-UHFFFAOYSA-N
XLogP3.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethylpyrrolo[2,3-d]pyrimidine
CID 69299985
ethane;7-methylpyrrolo[2,3-d]pyrimidine
CID 155705341
1-tritylpyrazolo[3,4-d]pyrimidine
CID 123834487
(2R)-2-pyrrolo[2,3-d]pyrimidin-7-ylpropan-1-ol
CID 131524978
1-(3-methylpentan-3-yl)pyrrolo[2,3-b]pyridin-5-amine
CID 170312800
9-(2-chloropropan-2-yl)purine
CID 174393193
2-hydrazinylidene-3-pyrrolo[2,3-d]pyrimidin-7-ylpentan-1-imine
CID 163765987
ethane;7-(5-ethylcyclooctyl)pyrrolo[2,3-d]pyrimidine
CID 143744456
methyl pyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 175841453
(1S,2R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-purin-9-ylcyclopentan-1-ol
CID 155767325
trimethyl-[2-(pyrrolo[2,3-d]pyrimidin-7-ylmethoxy)ethyl]silane
CID 58172492
9-[2-[4-(2-phenylpropan-2-yl)phenyl]butan-2-yl]carbazole
CID 135141021

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine (CID 174558301) is 7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine is CCC(C)(c1ccccc1)n1ccc2cncnc21.
What is the InChIKey of 7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is BMEDGOHVKSKNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-3-16(2,14-7-5-4-6-8-14)19-10-9-13-11-17-12-18-15(13)19/h4-12H,3H2,1-2H3.
What are the key properties of 7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine?
7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 251.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylbutan-2-yl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 174558301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).