(3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone

C19H20N4O2S — CID 171784131

IUPAC(3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone
SMILESCc1nc(OCc2ccc(C(=O)N3CCC(N)C3)cc2)c2ccsc2n1
InChIInChI=1S/C19H20N4O2S/c1-12-21-17(16-7-9-26-18(16)22-12)25-11-13-2-4-14(5-3-13)19(24)23-8-6-15(20)10-23/h2-5,7,9,15H,6,8,10-11,20H2,1H3
InChIKeyOCAMVAPRWQOWEV-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.75
Rot. Bonds4

About (3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone

(3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone (PubChem CID 171784131) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone
PubChem CID171784131
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name(3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone
SMILESCc1nc(OCc2ccc(C(=O)N3CCC(N)C3)cc2)c2ccsc2n1
InChIInChI=1S/C19H20N4O2S/c1-12-21-17(16-7-9-26-18(16)22-12)25-11-13-2-4-14(5-3-13)19(24)23-8-6-15(20)10-23/h2-5,7,9,15H,6,8,10-11,20H2,1H3
InChIKeyOCAMVAPRWQOWEV-UHFFFAOYSA-N
XLogP2.75
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone (CID 171784131) is (3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone is Cc1nc(OCc2ccc(C(=O)N3CCC(N)C3)cc2)c2ccsc2n1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone?
The InChIKey is OCAMVAPRWQOWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-21-17(16-7-9-26-18(16)22-12)25-11-13-2-4-14(5-3-13)19(24)23-8-6-15(20)10-23/h2-5,7,9,15H,6,8,10-11,20H2,1H3.
What are the key properties of (3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone?
(3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone has a molecular weight of 368.46 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone is sourced from PubChem (CID 171784131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).