7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile

C12H12N4 — CID 141367996

IUPAC7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1cc2cncnc2n1C1CCCC1
InChIInChI=1S/C12H12N4/c13-6-11-5-9-7-14-8-15-12(9)16(11)10-3-1-2-4-10/h5,7-8,10H,1-4H2
InChIKeyAPWCVOFWTYAIHI-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.42
Rot. Bonds1

About 7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile

7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 141367996) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile
PubChem CID141367996
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1cc2cncnc2n1C1CCCC1
InChIInChI=1S/C12H12N4/c13-6-11-5-9-7-14-8-15-12(9)16(11)10-3-1-2-4-10/h5,7-8,10H,1-4H2
InChIKeyAPWCVOFWTYAIHI-UHFFFAOYSA-N
XLogP2.42
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
CID 141132964
6-amino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
CID 141132986
6-benzyl-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
CID 141132974
2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile;7-cyclopentyl-2-[[5-(hydroxymethyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 160898391
2-cyclopentylpyrazole-3-carbonitrile
CID 105431659
8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458571
4-amino-1-cyclopentyl-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile
CID 100770994
4-amino-1-cyclopentyl-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrrole-2-carbonitrile
CID 100771002
4-amino-1-cyclopentyl-5-(3,5-dimethylpiperidin-1-yl)pyrrole-2-carbonitrile
CID 133168407
6-[(4-cyclopentylpiperazin-1-yl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine
CID 141063152
tert-butyl 4-[6-[(6-cyano-7-cyclopentylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-2-methylpiperazine-1-carboxylate
CID 58315416
7,8-dihydro-6H-pyrimido[5,4-b]pyrrolizine
CID 149286062

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile (CID 141367996) is 7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile is N#Cc1cc2cncnc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is APWCVOFWTYAIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c13-6-11-5-9-7-14-8-15-12(9)16(11)10-3-1-2-4-10/h5,7-8,10H,1-4H2.
What are the key properties of 7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile?
7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 212.26 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 141367996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).