4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine

C11H13F2N5 — CID 154206673

IUPAC4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine
SMILESNC1=CNC(N)=NC1(N)Cc1c(F)cccc1F
InChIInChI=1S/C11H13F2N5/c12-7-2-1-3-8(13)6(7)4-11(16)9(14)5-17-10(15)18-11/h1-3,5H,4,14,16H2,(H3,15,17,18)
InChIKeyYOOIYOHGOLPXPX-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.12
Rot. Bonds2

About 4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine

4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine (PubChem CID 154206673) has the molecular formula C11H13F2N5 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine
PubChem CID154206673
Molecular FormulaC11H13F2N5
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine
SMILESNC1=CNC(N)=NC1(N)Cc1c(F)cccc1F
InChIInChI=1S/C11H13F2N5/c12-7-2-1-3-8(13)6(7)4-11(16)9(14)5-17-10(15)18-11/h1-3,5H,4,14,16H2,(H3,15,17,18)
InChIKeyYOOIYOHGOLPXPX-UHFFFAOYSA-N
XLogP-0.12
TPSA102.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(Trifluoromethyl)phenyl]-1,4-dihydropyrimidine
CID 21628216
4-Phenyl-1,4-dihydropyrimidine
CID 19807438
5-Phenyl-2-(trifluoromethyl)-4-1,4-dihydropyridylamine
CID 43842027
1-Cyclopropyl-2-[2-(3,4-difluorophenyl)ethyl]guanidine
CID 121523701
6-(2,4-Difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 20546183
6-(2,5-Difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 20546225
6-(2,6-Difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 20546382
6-(2,3-Difluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 20546509
5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine
CID 67713034
4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine
CID 67871911
4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine
CID 67887922
4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine
CID 67887978

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine (CID 154206673) is 4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine is NC1=CNC(N)=NC1(N)Cc1c(F)cccc1F.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine?
The InChIKey is YOOIYOHGOLPXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5/c12-7-2-1-3-8(13)6(7)4-11(16)9(14)5-17-10(15)18-11/h1-3,5H,4,14,16H2,(H3,15,17,18).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine?
4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine has a molecular weight of 253.26 g/mol, XLogP of -0.12, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-1H-pyrimidine-2,4,5-triamine is sourced from PubChem (CID 154206673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).