7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine

C17H25N3 — CID 58492855

IUPAC7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCCC1(CC)CC[C@@H](n2ccc3c(C)nc(C)nc32)C1
InChIInChI=1S/C17H25N3/c1-5-17(6-2)9-7-14(11-17)20-10-8-15-12(3)18-13(4)19-16(15)20/h8,10,14H,5-7,9,11H2,1-4H3/t14-/m1/s1
InChIKeyPPPQWQOOWJHBAC-CQSZACIVSA-N
MW271.41 g/mol
LogP4.58
Rot. Bonds3

About 7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine

7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine (PubChem CID 58492855) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine
PubChem CID58492855
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCCC1(CC)CC[C@@H](n2ccc3c(C)nc(C)nc32)C1
InChIInChI=1S/C17H25N3/c1-5-17(6-2)9-7-14(11-17)20-10-8-15-12(3)18-13(4)19-16(15)20/h8,10,14H,5-7,9,11H2,1-4H3/t14-/m1/s1
InChIKeyPPPQWQOOWJHBAC-CQSZACIVSA-N
XLogP4.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine (CID 58492855) is 7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine is CCC1(CC)CC[C@@H](n2ccc3c(C)nc(C)nc32)C1.
What is the InChIKey of 7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine?
The InChIKey is PPPQWQOOWJHBAC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-17(6-2)9-7-14(11-17)20-10-8-15-12(3)18-13(4)19-16(15)20/h8,10,14H,5-7,9,11H2,1-4H3/t14-/m1/s1.
What are the key properties of 7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine?
7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine has a molecular weight of 271.41 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-3,3-diethylcyclopentyl]-2,4-dimethylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 58492855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).