(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone

C25H30N4O2S — CID 175578664

IUPAC(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone
SMILESCc1nc(OCc2ccc(C(=O)N3CC4CCC(N)C4C3)c(C(C)C)c2)c2ccsc2n1
InChIInChI=1S/C25H30N4O2S/c1-14(2)20-10-16(13-31-23-19-8-9-32-24(19)28-15(3)27-23)4-6-18(20)25(30)29-11-17-5-7-22(26)21(17)12-29/h4,6,8-10,14,17,21-22H,5,7,11-13,26H2,1-3H3
InChIKeyOUCIJYODMFFABW-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.51
Rot. Bonds5

About (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone

(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone (PubChem CID 175578664) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone.

Molecular Properties

Compound Name(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone
PubChem CID175578664
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC Name(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone
SMILESCc1nc(OCc2ccc(C(=O)N3CC4CCC(N)C4C3)c(C(C)C)c2)c2ccsc2n1
InChIInChI=1S/C25H30N4O2S/c1-14(2)20-10-16(13-31-23-19-8-9-32-24(19)28-15(3)27-23)4-6-18(20)25(30)29-11-17-5-7-22(26)21(17)12-29/h4,6,8-10,14,17,21-22H,5,7,11-13,26H2,1-3H3
InChIKeyOUCIJYODMFFABW-UHFFFAOYSA-N
XLogP4.51
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone?
The IUPAC name of (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone (CID 175578664) is (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone.
What is the SMILES notation for (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone?
The canonical SMILES for (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone is Cc1nc(OCc2ccc(C(=O)N3CC4CCC(N)C4C3)c(C(C)C)c2)c2ccsc2n1.
What is the InChIKey of (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone?
The InChIKey is OUCIJYODMFFABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-14(2)20-10-16(13-31-23-19-8-9-32-24(19)28-15(3)27-23)4-6-18(20)25(30)29-11-17-5-7-22(26)21(17)12-29/h4,6,8-10,14,17,21-22H,5,7,11-13,26H2,1-3H3.
What are the key properties of (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone?
(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone has a molecular weight of 450.61 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-2-propan-2-ylphenyl]methanone is sourced from PubChem (CID 175578664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).