2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol

C7H13F2N3O — CID 130914663

IUPAC2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol
SMILESOCC(F)(F)CNC1=NCCCN1
InChIInChI=1S/C7H13F2N3O/c8-7(9,5-13)4-12-6-10-2-1-3-11-6/h13H,1-5H2,(H2,10,11,12)
InChIKeyIKFQNUNSEOVPKQ-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.45
Rot. Bonds3

About 2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol

2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol (PubChem CID 130914663) has the molecular formula C7H13F2N3O and a molecular weight of 193.20 g/mol. Its IUPAC name is 2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol
PubChem CID130914663
Molecular FormulaC7H13F2N3O
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol
SMILESOCC(F)(F)CNC1=NCCCN1
InChIInChI=1S/C7H13F2N3O/c8-7(9,5-13)4-12-6-10-2-1-3-11-6/h13H,1-5H2,(H2,10,11,12)
InChIKeyIKFQNUNSEOVPKQ-UHFFFAOYSA-N
XLogP-0.45
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol (CID 130914663) is 2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol is OCC(F)(F)CNC1=NCCCN1.
What is the InChIKey of 2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol?
The InChIKey is IKFQNUNSEOVPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O/c8-7(9,5-13)4-12-6-10-2-1-3-11-6/h13H,1-5H2,(H2,10,11,12).
What are the key properties of 2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol?
2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol has a molecular weight of 193.20 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol is sourced from PubChem (CID 130914663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).