methyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate

C17H17N5O2 — CID 140834530

IUPACmethyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(-c2cccnc2)n(C2(C)CC2)c2ncnc(N)c12
InChIInChI=1S/C17H17N5O2/c1-17(5-6-17)22-13(10-4-3-7-19-8-10)11(16(23)24-2)12-14(18)20-9-21-15(12)22/h3-4,7-9H,5-6H2,1-2H3,(H2,18,20,21)
InChIKeyCMBGCVOYIZLOCG-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.37
Rot. Bonds3

About methyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate

methyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 140834530) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is methyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate
PubChem CID140834530
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Namemethyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(-c2cccnc2)n(C2(C)CC2)c2ncnc(N)c12
InChIInChI=1S/C17H17N5O2/c1-17(5-6-17)22-13(10-4-3-7-19-8-10)11(16(23)24-2)12-14(18)20-9-21-15(12)22/h3-4,7-9H,5-6H2,1-2H3,(H2,18,20,21)
InChIKeyCMBGCVOYIZLOCG-UHFFFAOYSA-N
XLogP2.37
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate (CID 140834530) is methyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate is COC(=O)c1c(-c2cccnc2)n(C2(C)CC2)c2ncnc(N)c12.
What is the InChIKey of methyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is CMBGCVOYIZLOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-17(5-6-17)22-13(10-4-3-7-19-8-10)11(16(23)24-2)12-14(18)20-9-21-15(12)22/h3-4,7-9H,5-6H2,1-2H3,(H2,18,20,21).
What are the key properties of methyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate?
methyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 323.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-7-(1-methylcyclopropyl)-6-pyridin-3-ylpyrrolo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 140834530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).