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

C14H16N4O2 — CID 140834532

IUPACmethyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate
SMILESC=Cc1c(C(=O)OC)c2c(N)ncnc2n1C1(C)CC1
InChIInChI=1S/C14H16N4O2/c1-4-8-9(13(19)20-3)10-11(15)16-7-17-12(10)18(8)14(2)5-6-14/h4,7H,1,5-6H2,2-3H3,(H2,15,16,17)
InChIKeyWRQLNULQCBWFFD-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.95
Rot. Bonds3

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

methyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 140834532) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is methyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate
PubChem CID140834532
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Namemethyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate
SMILESC=Cc1c(C(=O)OC)c2c(N)ncnc2n1C1(C)CC1
InChIInChI=1S/C14H16N4O2/c1-4-8-9(13(19)20-3)10-11(15)16-7-17-12(10)18(8)14(2)5-6-14/h4,7H,1,5-6H2,2-3H3,(H2,15,16,17)
InChIKeyWRQLNULQCBWFFD-UHFFFAOYSA-N
XLogP1.95
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate 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 methyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate (CID 140834532) is methyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate is C=Cc1c(C(=O)OC)c2c(N)ncnc2n1C1(C)CC1.
What is the InChIKey of methyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is WRQLNULQCBWFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-4-8-9(13(19)20-3)10-11(15)16-7-17-12(10)18(8)14(2)5-6-14/h4,7H,1,5-6H2,2-3H3,(H2,15,16,17).
What are the key properties of methyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate?
methyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 272.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-ethenyl-7-(1-methylcyclopropyl)pyrrolo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 140834532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).