(2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone

C16H19N5O2S — CID 86264614

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
SMILESCc1nc(C)c(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)s1
InChIInChI=1S/C16H19N5O2S/c1-10-14(24-11(2)18-10)15(22)21-8-12-7-17-16(19-13(12)9-21)20-3-5-23-6-4-20/h7H,3-6,8-9H2,1-2H3
InChIKeyUCSKURDYGPMUJE-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.54
Rot. Bonds2

About (2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone (PubChem CID 86264614) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
PubChem CID86264614
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
SMILESCc1nc(C)c(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)s1
InChIInChI=1S/C16H19N5O2S/c1-10-14(24-11(2)18-10)15(22)21-8-12-7-17-16(19-13(12)9-21)20-3-5-23-6-4-20/h7H,3-6,8-9H2,1-2H3
InChIKeyUCSKURDYGPMUJE-UHFFFAOYSA-N
XLogP1.54
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone (CID 86264614) is (2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone is Cc1nc(C)c(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The InChIKey is UCSKURDYGPMUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10-14(24-11(2)18-10)15(22)21-8-12-7-17-16(19-13(12)9-21)20-3-5-23-6-4-20/h7H,3-6,8-9H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone has a molecular weight of 345.43 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 86264614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).