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

C8H7N5O — CID 10511844

IUPAC2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCOc1nc(N)nc2[nH]cc(C#N)c12
InChIInChI=1S/C8H7N5O/c1-14-7-5-4(2-9)3-11-6(5)12-8(10)13-7/h3H,1H3,(H3,10,11,12,13)
InChIKeyDJVUSGZUMUFRHT-UHFFFAOYSA-N
MW189.18 g/mol
LogP0.42
Rot. Bonds1

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

2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 10511844) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is 2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID10511844
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC Name2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCOc1nc(N)nc2[nH]cc(C#N)c12
InChIInChI=1S/C8H7N5O/c1-14-7-5-4(2-9)3-11-6(5)12-8(10)13-7/h3H,1H3,(H3,10,11,12,13)
InChIKeyDJVUSGZUMUFRHT-UHFFFAOYSA-N
XLogP0.42
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 10511844) is 2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is COc1nc(N)nc2[nH]cc(C#N)c12.
What is the InChIKey of 2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is DJVUSGZUMUFRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c1-14-7-5-4(2-9)3-11-6(5)12-8(10)13-7/h3H,1H3,(H3,10,11,12,13).
What are the key properties of 2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 189.18 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 10511844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).