2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C11H12N6 — CID 118708945

IUPAC2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2nc(N)nc(N3CCCC3)c12
InChIInChI=1S/C11H12N6/c12-5-7-6-14-9-8(7)10(16-11(13)15-9)17-3-1-2-4-17/h6H,1-4H2,(H3,13,14,15,16)
InChIKeyPDJSVEHYHPDDHH-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.01
Rot. Bonds1

About 2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 118708945) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID118708945
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2nc(N)nc(N3CCCC3)c12
InChIInChI=1S/C11H12N6/c12-5-7-6-14-9-8(7)10(16-11(13)15-9)17-3-1-2-4-17/h6H,1-4H2,(H3,13,14,15,16)
InChIKeyPDJSVEHYHPDDHH-UHFFFAOYSA-N
XLogP1.01
TPSA94.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Deazaadenine
CID 5359620
4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 155928384
6-Pyrrolidino-7-deazapurine
CID 4428602
N-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 12662864
(3r)-1-(5-Methyl-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)pyrrolidin-3-Amine
CID 45480169
4-(Pyrrolidin-1-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-2-Amine
CID 71138081
N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)methyl)formamide
CID 46837763
4-(2,5-dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 9815801
3-methyl-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}pyrrolidine
CID 67250742
2-methyl-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}pyrrolidine
CID 67251949
4-[[4-(dimethylamino)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 72709739
N-[(3R)-1-butylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134537061

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 118708945) is 2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is N#Cc1c[nH]c2nc(N)nc(N3CCCC3)c12.
What is the InChIKey of 2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is PDJSVEHYHPDDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c12-5-7-6-14-9-8(7)10(16-11(13)15-9)17-3-1-2-4-17/h6H,1-4H2,(H3,13,14,15,16).
What are the key properties of 2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 228.26 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 118708945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).