methyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate

C12H12ClN3O2 — CID 129231413

IUPACmethyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2cnc(Cl)nc2n1CC1CC1
InChIInChI=1S/C12H12ClN3O2/c1-18-11(17)9-4-8-5-14-12(13)15-10(8)16(9)6-7-2-3-7/h4-5,7H,2-3,6H2,1H3
InChIKeyYRANLORKRAYAFN-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.28
Rot. Bonds3

About methyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate

methyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate (PubChem CID 129231413) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is methyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate
PubChem CID129231413
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Namemethyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2cnc(Cl)nc2n1CC1CC1
InChIInChI=1S/C12H12ClN3O2/c1-18-11(17)9-4-8-5-14-12(13)15-10(8)16(9)6-7-2-3-7/h4-5,7H,2-3,6H2,1H3
InChIKeyYRANLORKRAYAFN-UHFFFAOYSA-N
XLogP2.28
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate (CID 129231413) is methyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1cc2cnc(Cl)nc2n1CC1CC1.
What is the InChIKey of methyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is YRANLORKRAYAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-18-11(17)9-4-8-5-14-12(13)15-10(8)16(9)6-7-2-3-7/h4-5,7H,2-3,6H2,1H3.
What are the key properties of methyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate?
methyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 265.70 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-7-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 129231413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).