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

C15H20N6 — CID 56711018

IUPAC4-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine
SMILESCc1cc(N2Cc3cnc(CC(C)C)nc3C2)nc(N)n1
InChIInChI=1S/C15H20N6/c1-9(2)4-13-17-6-11-7-21(8-12(11)19-13)14-5-10(3)18-15(16)20-14/h5-6,9H,4,7-8H2,1-3H3,(H2,16,18,20)
InChIKeyIEAYHKFFVABOPD-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.88
Rot. Bonds3

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

4-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine (PubChem CID 56711018) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine
PubChem CID56711018
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name4-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine
SMILESCc1cc(N2Cc3cnc(CC(C)C)nc3C2)nc(N)n1
InChIInChI=1S/C15H20N6/c1-9(2)4-13-17-6-11-7-21(8-12(11)19-13)14-5-10(3)18-15(16)20-14/h5-6,9H,4,7-8H2,1-3H3,(H2,16,18,20)
InChIKeyIEAYHKFFVABOPD-UHFFFAOYSA-N
XLogP1.88
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine (CID 56711018) is 4-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine is Cc1cc(N2Cc3cnc(CC(C)C)nc3C2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine?
The InChIKey is IEAYHKFFVABOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-9(2)4-13-17-6-11-7-21(8-12(11)19-13)14-5-10(3)18-15(16)20-14/h5-6,9H,4,7-8H2,1-3H3,(H2,16,18,20).
What are the key properties of 4-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine?
4-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine has a molecular weight of 284.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 56711018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).