2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol

C8H11F2N3O — CID 106172873

IUPAC2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCc1ccncn1
InChIInChI=1S/C8H11F2N3O/c9-8(10,5-14)4-12-3-7-1-2-11-6-13-7/h1-2,6,12,14H,3-5H2
InChIKeyABNLQXPRPGTGBG-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.19
Rot. Bonds5

About 2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol

2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol (PubChem CID 106172873) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol
PubChem CID106172873
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCc1ccncn1
InChIInChI=1S/C8H11F2N3O/c9-8(10,5-14)4-12-3-7-1-2-11-6-13-7/h1-2,6,12,14H,3-5H2
InChIKeyABNLQXPRPGTGBG-UHFFFAOYSA-N
XLogP0.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
1-[4-(Trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane
CID 2782067
N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
2-(Piperidin-4-yloxy)-4-(trifluoromethyl)pyrimidine
CID 23133612
(2-Methoxypyrimidin-4-yl)methanamine
CID 55262952
(4-(Difluoromethyl)pyrimidin-2-yl)methanamine hydrochloride
CID 119031436
2-Pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine
CID 64585868
2-(2-Piperazin-1-ylethoxy)-4-(trifluoromethyl)pyrimidine
CID 172434778
N1-(4-(Trifluoromethyl)pyrimidin-2-yl)ethane-1,2-diamine
CID 2777800
1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
CID 2795837
N,N-dimethyl-4-((methylamino)methyl)pyrimidin-2-amine
CID 62749331
N1-(4-(Trifluoromethyl)pyrimidin-2-YL)ethane-1,2-diamine hydrochloride
CID 83813763

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol (CID 106172873) is 2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol is OCC(F)(F)CNCc1ccncn1.
What is the InChIKey of 2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol?
The InChIKey is ABNLQXPRPGTGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c9-8(10,5-14)4-12-3-7-1-2-11-6-13-7/h1-2,6,12,14H,3-5H2.
What are the key properties of 2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol?
2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol has a molecular weight of 203.19 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(pyrimidin-4-ylmethylamino)propan-1-ol is sourced from PubChem (CID 106172873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).