1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol

C9H9F2N3OS — CID 103731313

IUPAC1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol
SMILESOC(CNc1ncnc2ccsc12)C(F)F
InChIInChI=1S/C9H9F2N3OS/c10-8(11)6(15)3-12-9-7-5(1-2-16-7)13-4-14-9/h1-2,4,6,8,15H,3H2,(H,12,13,14)
InChIKeyCFJGCGCJQUMREU-UHFFFAOYSA-N
MW245.25 g/mol
LogP1.73
Rot. Bonds4

About 1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol

1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol (PubChem CID 103731313) has the molecular formula C9H9F2N3OS and a molecular weight of 245.25 g/mol. Its IUPAC name is 1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol
PubChem CID103731313
Molecular FormulaC9H9F2N3OS
Molecular Weight245.25 g/mol
Exact Mass245.04
IUPAC Name1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol
SMILESOC(CNc1ncnc2ccsc12)C(F)F
InChIInChI=1S/C9H9F2N3OS/c10-8(11)6(15)3-12-9-7-5(1-2-16-7)13-4-14-9/h1-2,4,6,8,15H,3H2,(H,12,13,14)
InChIKeyCFJGCGCJQUMREU-UHFFFAOYSA-N
XLogP1.73
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol (CID 103731313) is 1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol is OC(CNc1ncnc2ccsc12)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol?
The InChIKey is CFJGCGCJQUMREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3OS/c10-8(11)6(15)3-12-9-7-5(1-2-16-7)13-4-14-9/h1-2,4,6,8,15H,3H2,(H,12,13,14).
What are the key properties of 1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol?
1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol has a molecular weight of 245.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(thieno[3,2-d]pyrimidin-4-ylamino)propan-2-ol is sourced from PubChem (CID 103731313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).