methane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone

C14H19N5OS — CID 160713160

IUPACmethane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone
SMILESC.CC(=O)N1Cc2nc(C)nc(NCc3nccs3)c2C1
InChIInChI=1S/C13H15N5OS.CH4/c1-8-16-11-7-18(9(2)19)6-10(11)13(17-8)15-5-12-14-3-4-20-12;/h3-4H,5-7H2,1-2H3,(H,15,16,17);1H4
InChIKeyRSCVYUIRMLFSDC-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.35
Rot. Bonds3

About methane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone

methane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone (PubChem CID 160713160) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is methane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Namemethane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone
PubChem CID160713160
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Namemethane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone
SMILESC.CC(=O)N1Cc2nc(C)nc(NCc3nccs3)c2C1
InChIInChI=1S/C13H15N5OS.CH4/c1-8-16-11-7-18(9(2)19)6-10(11)13(17-8)15-5-12-14-3-4-20-12;/h3-4H,5-7H2,1-2H3,(H,15,16,17);1H4
InChIKeyRSCVYUIRMLFSDC-UHFFFAOYSA-N
XLogP2.35
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone?
The IUPAC name of methane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone (CID 160713160) is methane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for methane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for methane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone is C.CC(=O)N1Cc2nc(C)nc(NCc3nccs3)c2C1.
What is the InChIKey of methane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone?
The InChIKey is RSCVYUIRMLFSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS.CH4/c1-8-16-11-7-18(9(2)19)6-10(11)13(17-8)15-5-12-14-3-4-20-12;/h3-4H,5-7H2,1-2H3,(H,15,16,17);1H4.
What are the key properties of methane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone?
methane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone has a molecular weight of 305.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[2-methyl-4-(1,3-thiazol-2-ylmethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 160713160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).