methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate

C13H17N3O3 — CID 114741573

IUPACmethyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2(OC)CCC2)nc2c1CNC2
InChIInChI=1S/C13H17N3O3/c1-18-11(17)10-8-6-14-7-9(8)15-12(16-10)13(19-2)4-3-5-13/h14H,3-7H2,1-2H3
InChIKeyJYMKGDVMHLQLIR-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.89
Rot. Bonds3

About methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate

methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate (PubChem CID 114741573) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
PubChem CID114741573
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namemethyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2(OC)CCC2)nc2c1CNC2
InChIInChI=1S/C13H17N3O3/c1-18-11(17)10-8-6-14-7-9(8)15-12(16-10)13(19-2)4-3-5-13/h14H,3-7H2,1-2H3
InChIKeyJYMKGDVMHLQLIR-UHFFFAOYSA-N
XLogP0.89
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate with MolForge

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Related Compounds

methyl 2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741522
4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739792
methyl 2-thiophen-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741511
methyl 2-(4-methylthiophen-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741547
4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739647
2-(1-methoxycyclobutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738924
methyl 2-(2-methylpropylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741475
2-(1-methoxycyclobutyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737926
4-cyclopropyl-2-(1-methoxycyclobutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739107
methyl 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741585
2-(1-methoxy-4-methylcyclohexyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741032
2-(1-ethoxycycloheptyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740756

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate (CID 114741573) is methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate is COC(=O)c1nc(C2(OC)CCC2)nc2c1CNC2.
What is the InChIKey of methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate?
The InChIKey is JYMKGDVMHLQLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-18-11(17)10-8-6-14-7-9(8)15-12(16-10)13(19-2)4-3-5-13/h14H,3-7H2,1-2H3.
What are the key properties of methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate?
methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 114741573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).