2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C10H11N5O — CID 118708943

IUPAC2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCC(C)Oc1nc(N)nc2[nH]cc(C#N)c12
InChIInChI=1S/C10H11N5O/c1-5(2)16-9-7-6(3-11)4-13-8(7)14-10(12)15-9/h4-5H,1-2H3,(H3,12,13,14,15)
InChIKeyYTALHGKBJXHVHM-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.20
Rot. Bonds2

About 2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 118708943) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID118708943
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCC(C)Oc1nc(N)nc2[nH]cc(C#N)c12
InChIInChI=1S/C10H11N5O/c1-5(2)16-9-7-6(3-11)4-13-8(7)14-10(12)15-9/h4-5H,1-2H3,(H3,12,13,14,15)
InChIKeyYTALHGKBJXHVHM-UHFFFAOYSA-N
XLogP1.20
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-propan-2-yloxy-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 118708943) is 2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is CC(C)Oc1nc(N)nc2[nH]cc(C#N)c12.
What is the InChIKey of 2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is YTALHGKBJXHVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-5(2)16-9-7-6(3-11)4-13-8(7)14-10(12)15-9/h4-5H,1-2H3,(H3,12,13,14,15).
What are the key properties of 2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 217.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 118708943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).