1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one

C15H23N3O2 — CID 56739967

IUPAC1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1Cc2cnc(C(C)(C)C)nc2C1
InChIInChI=1S/C15H23N3O2/c1-14(2,3)12-16-7-10-8-18(9-11(10)17-12)13(19)15(4,5)20-6/h7H,8-9H2,1-6H3
InChIKeyQPDPGTZGAJMAGS-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.04
Rot. Bonds2

About 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one

1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one (PubChem CID 56739967) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one
PubChem CID56739967
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1Cc2cnc(C(C)(C)C)nc2C1
InChIInChI=1S/C15H23N3O2/c1-14(2,3)12-16-7-10-8-18(9-11(10)17-12)13(19)15(4,5)20-6/h7H,8-9H2,1-6H3
InChIKeyQPDPGTZGAJMAGS-UHFFFAOYSA-N
XLogP2.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one (CID 56739967) is 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1Cc2cnc(C(C)(C)C)nc2C1.
What is the InChIKey of 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one?
The InChIKey is QPDPGTZGAJMAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-14(2,3)12-16-7-10-8-18(9-11(10)17-12)13(19)15(4,5)20-6/h7H,8-9H2,1-6H3.
What are the key properties of 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one?
1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one has a molecular weight of 277.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 56739967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).