2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine

C12H18N4O — CID 83918892

IUPAC2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(n1)CN(C1CCOCC1)C2
InChIInChI=1S/C12H18N4O/c1-8-14-11-7-16(6-10(11)12(13)15-8)9-2-4-17-5-3-9/h9H,2-7H2,1H3,(H2,13,14,15)
InChIKeyHUCDKPFQFGXRST-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.86
Rot. Bonds1

About 2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine

2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 83918892) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID83918892
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(n1)CN(C1CCOCC1)C2
InChIInChI=1S/C12H18N4O/c1-8-14-11-7-16(6-10(11)12(13)15-8)9-2-4-17-5-3-9/h9H,2-7H2,1H3,(H2,13,14,15)
InChIKeyHUCDKPFQFGXRST-UHFFFAOYSA-N
XLogP0.86
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine (CID 83918892) is 2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine is Cc1nc(N)c2c(n1)CN(C1CCOCC1)C2.
What is the InChIKey of 2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HUCDKPFQFGXRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-14-11-7-16(6-10(11)12(13)15-8)9-2-4-17-5-3-9/h9H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of 2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 234.30 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxan-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83918892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).