N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C18H20N4O — CID 166365473

IUPACN-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCCCC(C)(NC(=O)c1ncnc2[nH]ccc12)c1ccccc1
InChIInChI=1S/C18H20N4O/c1-3-10-18(2,13-7-5-4-6-8-13)22-17(23)15-14-9-11-19-16(14)21-12-20-15/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyFMUIWQYUOLISOG-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.40
Rot. Bonds5

About N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 166365473) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID166365473
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCCCC(C)(NC(=O)c1ncnc2[nH]ccc12)c1ccccc1
InChIInChI=1S/C18H20N4O/c1-3-10-18(2,13-7-5-4-6-8-13)22-17(23)15-14-9-11-19-16(14)21-12-20-15/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyFMUIWQYUOLISOG-UHFFFAOYSA-N
XLogP3.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 166365473) is N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is CCCC(C)(NC(=O)c1ncnc2[nH]ccc12)c1ccccc1.
What is the InChIKey of N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is FMUIWQYUOLISOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-10-18(2,13-7-5-4-6-8-13)22-17(23)15-14-9-11-19-16(14)21-12-20-15/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpentan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 166365473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).