(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone

C17H21N5O — CID 56741514

IUPAC(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
SMILESCCc1ncc2c(n1)CN(C(=O)c1cnc(C(C)C)nc1C)C2
InChIInChI=1S/C17H21N5O/c1-5-15-18-6-12-8-22(9-14(12)21-15)17(23)13-7-19-16(10(2)3)20-11(13)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyQLCYZDDYSWKONR-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.42
Rot. Bonds3

About (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone

(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone (PubChem CID 56741514) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
PubChem CID56741514
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
SMILESCCc1ncc2c(n1)CN(C(=O)c1cnc(C(C)C)nc1C)C2
InChIInChI=1S/C17H21N5O/c1-5-15-18-6-12-8-22(9-14(12)21-15)17(23)13-7-19-16(10(2)3)20-11(13)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyQLCYZDDYSWKONR-UHFFFAOYSA-N
XLogP2.42
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
The IUPAC name of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone (CID 56741514) is (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
The canonical SMILES for (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone is CCc1ncc2c(n1)CN(C(=O)c1cnc(C(C)C)nc1C)C2.
What is the InChIKey of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
The InChIKey is QLCYZDDYSWKONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-5-15-18-6-12-8-22(9-14(12)21-15)17(23)13-7-19-16(10(2)3)20-11(13)4/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone has a molecular weight of 311.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 56741514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).