methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride

C8H10ClN3O2 — CID 170916820

IUPACmethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ncc2c(n1)NCC2.Cl
InChIInChI=1S/C8H9N3O2.ClH/c1-13-8(12)7-10-4-5-2-3-9-6(5)11-7;/h4H,2-3H2,1H3,(H,9,10,11);1H
InChIKeyOPZHKUIENBVWDD-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.65
Rot. Bonds1

About methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride

methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride (PubChem CID 170916820) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride
PubChem CID170916820
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Namemethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ncc2c(n1)NCC2.Cl
InChIInChI=1S/C8H9N3O2.ClH/c1-13-8(12)7-10-4-5-2-3-9-6(5)11-7;/h4H,2-3H2,1H3,(H,9,10,11);1H
InChIKeyOPZHKUIENBVWDD-UHFFFAOYSA-N
XLogP0.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 82402887
methyl 1H-pyrazolo[4,3-d]pyrimidine-5-carboxylate
CID 154851752
ethane;methyl 5-hydroxypyrimidine-2-carboxylate
CID 145316773
methyl 5-[4-(2-methoxycarbonylpyrimidin-5-yl)cyclohexyl]pyrimidine-2-carboxylate
CID 170080455
methyl 4-tert-butylpyrimidine-2-carboxylate
CID 116901231
2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid;hydrochloride
CID 154857231
2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 153425222
methyl 4-chloropyrimidine-2-carboxylate
CID 64989066
methyl 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline-2-carboxylate
CID 103200442
methyl 1,2-dihydropteridine-6-carboxylate
CID 141110396
methyl 4-propan-2-ylpyrimidine-2-carboxylate
CID 59618477
2-benzyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 150185880

Frequently Asked Questions

What is the IUPAC name of methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride (CID 170916820) is methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride is COC(=O)c1ncc2c(n1)NCC2.Cl.
What is the InChIKey of methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride?
The InChIKey is OPZHKUIENBVWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2.ClH/c1-13-8(12)7-10-4-5-2-3-9-6(5)11-7;/h4H,2-3H2,1H3,(H,9,10,11);1H.
What are the key properties of methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride?
methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride has a molecular weight of 215.64 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 170916820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).