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

C17H16N6OS — CID 139368471

IUPAC(4,5-dimethyl-1,3-thiazol-2-yl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
SMILESCc1nc(C(=O)N2Cc3nc(-c4ncccn4)ncc3C2C)sc1C
InChIInChI=1S/C17H16N6OS/c1-9-11(3)25-16(21-9)17(24)23-8-13-12(10(23)2)7-20-15(22-13)14-18-5-4-6-19-14/h4-7,10H,8H2,1-3H3
InChIKeyFWCILAWFCYDVJB-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.72
Rot. Bonds2

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

(4,5-dimethyl-1,3-thiazol-2-yl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone (PubChem CID 139368471) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-thiazol-2-yl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-thiazol-2-yl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
PubChem CID139368471
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name(4,5-dimethyl-1,3-thiazol-2-yl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
SMILESCc1nc(C(=O)N2Cc3nc(-c4ncccn4)ncc3C2C)sc1C
InChIInChI=1S/C17H16N6OS/c1-9-11(3)25-16(21-9)17(24)23-8-13-12(10(23)2)7-20-15(22-13)14-18-5-4-6-19-14/h4-7,10H,8H2,1-3H3
InChIKeyFWCILAWFCYDVJB-UHFFFAOYSA-N
XLogP2.72
TPSA84.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone (CID 139368471) is (4,5-dimethyl-1,3-thiazol-2-yl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (4,5-dimethyl-1,3-thiazol-2-yl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (4,5-dimethyl-1,3-thiazol-2-yl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone is Cc1nc(C(=O)N2Cc3nc(-c4ncccn4)ncc3C2C)sc1C.
What is the InChIKey of (4,5-dimethyl-1,3-thiazol-2-yl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The InChIKey is FWCILAWFCYDVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-9-11(3)25-16(21-9)17(24)23-8-13-12(10(23)2)7-20-15(22-13)14-18-5-4-6-19-14/h4-7,10H,8H2,1-3H3.
What are the key properties of (4,5-dimethyl-1,3-thiazol-2-yl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
(4,5-dimethyl-1,3-thiazol-2-yl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone has a molecular weight of 352.42 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-thiazol-2-yl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 139368471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).