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

Name: 2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₁₃F₂N₃O — CID 130914663

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol
PubChem CID	130914663
Molecular Formula	C₇H₁₃F₂N₃O
Molecular Weight	193.20 g/mol
Exact Mass	193.10
IUPAC Name	2,2-difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol
SMILES	OCC(F)(F)CNC1=NCCCN1
InChI	InChI=1S/C7H13F2N3O/c8-7(9,5-13)4-12-6-10-2-1-3-11-6/h13H,1-5H2,(H2,10,11,12)
InChIKey	IKFQNUNSEOVPKQ-UHFFFAOYSA-N
XLogP	-0.45
TPSA	56.65 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.20
LogP ≤ 5	-0.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 130914663 — identifiers, structure, computed properties (public domain)

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