(3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one

C17H20N4O2S — CID 133118855

IUPAC(3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
SMILESCc1csc2c(N3C[C@@H]4OC(=O)N(C5CCCC5)[C@@H]4C3)ncnc12
InChIInChI=1S/C17H20N4O2S/c1-10-8-24-15-14(10)18-9-19-16(15)20-6-12-13(7-20)23-17(22)21(12)11-4-2-3-5-11/h8-9,11-13H,2-7H2,1H3/t12-,13+/m1/s1
InChIKeyBPVBTPFDSIXLQJ-OLZOCXBDSA-N
MW344.44 g/mol
LogP2.95
Rot. Bonds2

About (3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one

(3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one (PubChem CID 133118855) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name(3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
PubChem CID133118855
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
SMILESCc1csc2c(N3C[C@@H]4OC(=O)N(C5CCCC5)[C@@H]4C3)ncnc12
InChIInChI=1S/C17H20N4O2S/c1-10-8-24-15-14(10)18-9-19-16(15)20-6-12-13(7-20)23-17(22)21(12)11-4-2-3-5-11/h8-9,11-13H,2-7H2,1H3/t12-,13+/m1/s1
InChIKeyBPVBTPFDSIXLQJ-OLZOCXBDSA-N
XLogP2.95
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one with MolForge

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Related Compounds

(2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 6923426
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-ol
CID 102687027
7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine
CID 100700021
(1S,5R)-9-methyl-7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135116965
N-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-amine
CID 172894816
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 102687035
4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 124829142
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102685906
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602843
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 166604692
(3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 100640119

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one?
The IUPAC name of (3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one (CID 133118855) is (3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one.
What is the SMILES notation for (3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one?
The canonical SMILES for (3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one is Cc1csc2c(N3C[C@@H]4OC(=O)N(C5CCCC5)[C@@H]4C3)ncnc12.
What is the InChIKey of (3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one?
The InChIKey is BPVBTPFDSIXLQJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10-8-24-15-14(10)18-9-19-16(15)20-6-12-13(7-20)23-17(22)21(12)11-4-2-3-5-11/h8-9,11-13H,2-7H2,1H3/t12-,13+/m1/s1.
What are the key properties of (3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one?
(3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one has a molecular weight of 344.44 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one is sourced from PubChem (CID 133118855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).