6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C10H11F2N3 — CID 20546509

IUPAC6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(c2cccc(F)c2F)N1
InChIInChI=1S/C10H11F2N3/c11-7-3-1-2-6(9(7)12)8-4-5-14-10(13)15-8/h1-3,8H,4-5H2,(H3,13,14,15)
InChIKeyJKQQHLDFRDLIIL-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.31
Rot. Bonds1

About 6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 20546509) has the molecular formula C10H11F2N3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID20546509
Molecular FormulaC10H11F2N3
Molecular Weight211.22 g/mol
Exact Mass211.09
IUPAC Name6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(c2cccc(F)c2F)N1
InChIInChI=1S/C10H11F2N3/c11-7-3-1-2-6(9(7)12)8-4-5-14-10(13)15-8/h1-3,8H,4-5H2,(H3,13,14,15)
InChIKeyJKQQHLDFRDLIIL-UHFFFAOYSA-N
XLogP1.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2368
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1,2-Dibenzylguanidine
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5-Phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 3061021
1H-Imidazol-2-amine, 4,5-dihydro-4-phenyl-
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(4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine
CID 135458217
(1-(2,6-Difluorophenyl)ethyl)(methyl)amine
CID 16772789
1,2-Dibenzylguanidine;hydrobromide
CID 12549981
[3-(phenylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide
CID 944503
2-Benzhydryliminoimidazolidine
CID 12503392
N-Benzyl-N''-cyano-N'-methylguanidine
CID 373919

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 20546509) is 6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NCCC(c2cccc(F)c2F)N1.
What is the InChIKey of 6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is JKQQHLDFRDLIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c11-7-3-1-2-6(9(7)12)8-4-5-14-10(13)15-8/h1-3,8H,4-5H2,(H3,13,14,15).
What are the key properties of 6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 211.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 20546509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).