[6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone

C18H19FN6OS — CID 142540270

IUPAC[6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
SMILESC[C@H](Nc1nc(C(=O)N2CC[C@@H](F)C2)c2sc(N)cc2n1)c1ccccn1
InChIInChI=1S/C18H19FN6OS/c1-10(12-4-2-3-6-21-12)22-18-23-13-8-14(20)27-16(13)15(24-18)17(26)25-7-5-11(19)9-25/h2-4,6,8,10-11H,5,7,9,20H2,1H3,(H,22,23,24)/t10-,11+/m0/s1
InChIKeyVDZWJXGYRJRANX-WDEREUQCSA-N
MW386.46 g/mol
LogP3.03
Rot. Bonds4

About [6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone

[6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone (PubChem CID 142540270) has the molecular formula C18H19FN6OS and a molecular weight of 386.46 g/mol. Its IUPAC name is [6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
PubChem CID142540270
Molecular FormulaC18H19FN6OS
Molecular Weight386.46 g/mol
Exact Mass386.13
IUPAC Name[6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
SMILESC[C@H](Nc1nc(C(=O)N2CC[C@@H](F)C2)c2sc(N)cc2n1)c1ccccn1
InChIInChI=1S/C18H19FN6OS/c1-10(12-4-2-3-6-21-12)22-18-23-13-8-14(20)27-16(13)15(24-18)17(26)25-7-5-11(19)9-25/h2-4,6,8,10-11H,5,7,9,20H2,1H3,(H,22,23,24)/t10-,11+/m0/s1
InChIKeyVDZWJXGYRJRANX-WDEREUQCSA-N
XLogP3.03
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
The IUPAC name of [6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone (CID 142540270) is [6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
The canonical SMILES for [6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone is C[C@H](Nc1nc(C(=O)N2CC[C@@H](F)C2)c2sc(N)cc2n1)c1ccccn1.
What is the InChIKey of [6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
The InChIKey is VDZWJXGYRJRANX-WDEREUQCSA-N. The full InChI is InChI=1S/C18H19FN6OS/c1-10(12-4-2-3-6-21-12)22-18-23-13-8-14(20)27-16(13)15(24-18)17(26)25-7-5-11(19)9-25/h2-4,6,8,10-11H,5,7,9,20H2,1H3,(H,22,23,24)/t10-,11+/m0/s1.
What are the key properties of [6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone?
[6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone is sourced from PubChem (CID 142540270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).