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

C11H17N3O — CID 83848451

IUPAC4-methoxy-2-methyl-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1nc(C)nc2c1CNC2C(C)C
InChIInChI=1S/C11H17N3O/c1-6(2)9-10-8(5-12-9)11(15-4)14-7(3)13-10/h6,9,12H,5H2,1-4H3
InChIKeyNKJYMJFNPAUCPO-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.59
Rot. Bonds2

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

4-methoxy-2-methyl-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 83848451) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-methoxy-2-methyl-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-methyl-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID83848451
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-methoxy-2-methyl-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1nc(C)nc2c1CNC2C(C)C
InChIInChI=1S/C11H17N3O/c1-6(2)9-10-8(5-12-9)11(15-4)14-7(3)13-10/h6,9,12H,5H2,1-4H3
InChIKeyNKJYMJFNPAUCPO-UHFFFAOYSA-N
XLogP1.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115031086
4-methoxy-2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 72197312
(4-Cyclopropyl-5-fluoro-6-methoxypyrimidin-2-yl)methanamine
CID 84039897
(5-Fluoro-4-methoxy-6-propan-2-ylpyrimidin-2-yl)methanamine
CID 84040020
2-(4-Cyclopropyl-5-fluoro-6-methoxypyrimidin-2-yl)ethanamine
CID 84041092
2-(5-Fluoro-4-methoxy-6-propan-2-ylpyrimidin-2-yl)ethanamine
CID 84041269
4-methoxy-2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 115046046
4-Methoxy-6,7-dihydro-5h-cyclopenta[d]pyrimidin-2-amine
CID 230744
4-methoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 12933916
4-ethoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 12933918
4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 12933921
2-piperazin-1-yl-4-propoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 70578763

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-methoxy-2-methyl-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 83848451) is 4-methoxy-2-methyl-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-methoxy-2-methyl-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-methoxy-2-methyl-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COc1nc(C)nc2c1CNC2C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is NKJYMJFNPAUCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-6(2)9-10-8(5-12-9)11(15-4)14-7(3)13-10/h6,9,12H,5H2,1-4H3.
What are the key properties of 4-methoxy-2-methyl-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-methoxy-2-methyl-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 207.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 83848451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).