1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea

C10H14F2N4O2 — CID 100650944

IUPAC1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea
SMILESCc1nccc(NC(=O)N(CCO)CC(F)F)n1
InChIInChI=1S/C10H14F2N4O2/c1-7-13-3-2-9(14-7)15-10(18)16(4-5-17)6-8(11)12/h2-3,8,17H,4-6H2,1H3,(H,13,14,15,18)
InChIKeyZYPQFJZAYDUOFC-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.88
Rot. Bonds5

About 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea

1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea (PubChem CID 100650944) has the molecular formula C10H14F2N4O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea
PubChem CID100650944
Molecular FormulaC10H14F2N4O2
Molecular Weight260.24 g/mol
Exact Mass260.11
IUPAC Name1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea
SMILESCc1nccc(NC(=O)N(CCO)CC(F)F)n1
InChIInChI=1S/C10H14F2N4O2/c1-7-13-3-2-9(14-7)15-10(18)16(4-5-17)6-8(11)12/h2-3,8,17H,4-6H2,1H3,(H,13,14,15,18)
InChIKeyZYPQFJZAYDUOFC-UHFFFAOYSA-N
XLogP0.88
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Aminopyrimidin-2-yl)methanol
CID 53421437
1-(2-Hydroxypropyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 53504637
N-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]-N-(2-Hydroxyethyl)formamide
CID 16126789
N,N'-2,4-Pyrimidinediylbis[acetamide]
CID 816936
N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 72869990
(2S)-3-[(2-methylpyrimidin-4-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 75494902
(2S)-2-methyl-N-pyrimidin-4-yl-1,4-oxazepane-4-carboxamide
CID 99840604
1-[4-(Dimethylamino)pyrimidin-2-yl]-3-(2,2,3,3-tetrafluoropropyl)urea
CID 121590738
2,2,2-trifluoroethyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 138009312
3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide
CID 138028282
N-(2-methoxypyrimidin-4-yl)-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 137924730
ethyl N-[4-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]butyl]carbamate
CID 20208676

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea?
The IUPAC name of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea (CID 100650944) is 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea is Cc1nccc(NC(=O)N(CCO)CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea?
The InChIKey is ZYPQFJZAYDUOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O2/c1-7-13-3-2-9(14-7)15-10(18)16(4-5-17)6-8(11)12/h2-3,8,17H,4-6H2,1H3,(H,13,14,15,18).
What are the key properties of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea?
1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea has a molecular weight of 260.24 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-(2-methylpyrimidin-4-yl)urea is sourced from PubChem (CID 100650944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).