2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C8H10ClN3O — CID 171808421

IUPAC2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1nc(Cl)nc2c1C(C)NC2
InChIInChI=1S/C8H10ClN3O/c1-4-6-5(3-10-4)11-8(9)12-7(6)13-2/h4,10H,3H2,1-2H3
InChIKeyGAEXFWOGYUSYLB-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.30
Rot. Bonds1

About 2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 171808421) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID171808421
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1nc(Cl)nc2c1C(C)NC2
InChIInChI=1S/C8H10ClN3O/c1-4-6-5(3-10-4)11-8(9)12-7(6)13-2/h4,10H,3H2,1-2H3
InChIKeyGAEXFWOGYUSYLB-UHFFFAOYSA-N
XLogP1.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 18456522
4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115031086
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 140041721
2,4-dimethoxy-5-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine
CID 160399616
4-Methoxy-2-(3,3,3-trifluoropropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 163223550
4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
CID 171808732
4-(difluoromethoxy)-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 171808742
2-fluoro-4-propan-2-yloxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 172576527
4-Methoxy-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
CID 83919695
2-[4-Methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 105495722
5-(2-Aminoethyl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 105497430
2-[2,4-Dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 105509213

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 171808421) is 2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COc1nc(Cl)nc2c1C(C)NC2.
What is the InChIKey of 2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is GAEXFWOGYUSYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-4-6-5(3-10-4)11-8(9)12-7(6)13-2/h4,10H,3H2,1-2H3.
What are the key properties of 2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 199.64 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 171808421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).