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

C7H5Cl2N3O — CID 135374250

IUPAC2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1nc(Cl)nc2[nH]cc(Cl)c12
InChIInChI=1S/C7H5Cl2N3O/c1-13-6-4-3(8)2-10-5(4)11-7(9)12-6/h2H,1H3,(H,10,11,12)
InChIKeyAGVBIRFNOANOKD-UHFFFAOYSA-N
MW218.04 g/mol
LogP2.27
Rot. Bonds1

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

2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 135374250) has the molecular formula C7H5Cl2N3O and a molecular weight of 218.04 g/mol. Its IUPAC name is 2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID135374250
Molecular FormulaC7H5Cl2N3O
Molecular Weight218.04 g/mol
Exact Mass216.98
IUPAC Name2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1nc(Cl)nc2[nH]cc(Cl)c12
InChIInChI=1S/C7H5Cl2N3O/c1-13-6-4-3(8)2-10-5(4)11-7(9)12-6/h2H,1H3,(H,10,11,12)
InChIKeyAGVBIRFNOANOKD-UHFFFAOYSA-N
XLogP2.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-4-(2-methoxyethoxy)-7H-pyrrolo[2,3-d]pyrimidine
CID 155476000
4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 123651895
2-chloro-4-methoxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidine;ethane
CID 155571653
2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol
CID 131502833
4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11506669
2,4-dichloro-6-methoxy-5-methylpyrimidine
CID 118141128
4-methoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 84728048
5-chloro-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 178043944
2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine
CID 123251881
2-chloro-4-methoxy-5-methylpyrimidine
CID 11051933
4-(2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)but-3-en-1-amine
CID 170488017
2,5-dichloro-N-(1-methylsulfanyl-2,3-dihydroindol-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167014555

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine (CID 135374250) is 2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine is COc1nc(Cl)nc2[nH]cc(Cl)c12.
What is the InChIKey of 2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is AGVBIRFNOANOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N3O/c1-13-6-4-3(8)2-10-5(4)11-7(9)12-6/h2H,1H3,(H,10,11,12).
What are the key properties of 2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine?
2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 218.04 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 135374250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).