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

C12H18N4O — CID 115040233

IUPAC4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1nc(C2CCNCC2)nc2c1CNC2
InChIInChI=1S/C12H18N4O/c1-17-12-9-6-14-7-10(9)15-11(16-12)8-2-4-13-5-3-8/h8,13-14H,2-7H2,1H3
InChIKeyRESDLCRJBRVFFJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.56
Rot. Bonds2

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

4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 115040233) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID115040233
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1nc(C2CCNCC2)nc2c1CNC2
InChIInChI=1S/C12H18N4O/c1-17-12-9-6-14-7-10(9)15-11(16-12)8-2-4-13-5-3-8/h8,13-14H,2-7H2,1H3
InChIKeyRESDLCRJBRVFFJ-UHFFFAOYSA-N
XLogP0.56
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115040229
2-cyclobutyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 105474416
2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 105493384
4-methoxy-2-pyrrolidin-3-yl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 105499490
N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 105494802
2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 105474414
2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739789
4-methoxy-2-piperidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 105493352
4-cyclopropyl-2-(4-propan-2-ylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739633
4-methoxy-2-piperidin-3-yl-5,7-dihydrofuro[3,4-d]pyrimidine
CID 105496379
2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741250
4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115043384

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 115040233) is 4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COc1nc(C2CCNCC2)nc2c1CNC2.
What is the InChIKey of 4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is RESDLCRJBRVFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-17-12-9-6-14-7-10(9)15-11(16-12)8-2-4-13-5-3-8/h8,13-14H,2-7H2,1H3.
What are the key properties of 4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 234.30 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 115040233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).