1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone

C11H13F3N4O — CID 134410661

IUPAC1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone
SMILESCc1nc2c(c(N(C)C)n1)CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C11H13F3N4O/c1-6-15-8-5-18(10(19)11(12,13)14)4-7(8)9(16-6)17(2)3/h4-5H2,1-3H3
InChIKeyBZVJBSKTSBKWGU-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.26
Rot. Bonds1

About 1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone

1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone (PubChem CID 134410661) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone
PubChem CID134410661
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone
SMILESCc1nc2c(c(N(C)C)n1)CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C11H13F3N4O/c1-6-15-8-5-18(10(19)11(12,13)14)4-7(8)9(16-6)17(2)3/h4-5H2,1-3H3
InChIKeyBZVJBSKTSBKWGU-UHFFFAOYSA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone (CID 134410661) is 1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone is Cc1nc2c(c(N(C)C)n1)CN(C(=O)C(F)(F)F)C2.
What is the InChIKey of 1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone?
The InChIKey is BZVJBSKTSBKWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-6-15-8-5-18(10(19)11(12,13)14)4-7(8)9(16-6)17(2)3/h4-5H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone?
1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone has a molecular weight of 274.25 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 134410661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).