2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine

C10H5F5N4 — CID 116797163

IUPAC2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C10H5F5N4/c11-4-5(12)7(14)9(8(15)6(4)13)19-10-17-2-1-3(16)18-10/h1-2H,(H3,16,17,18,19)
InChIKeyLVPSHQLMTBJRCH-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.50
Rot. Bonds2

About 2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine

2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine (PubChem CID 116797163) has the molecular formula C10H5F5N4 and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine
PubChem CID116797163
Molecular FormulaC10H5F5N4
Molecular Weight276.17 g/mol
Exact Mass276.04
IUPAC Name2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C10H5F5N4/c11-4-5(12)7(14)9(8(15)6(4)13)19-10-17-2-1-3(16)18-10/h1-2H,(H3,16,17,18,19)
InChIKeyLVPSHQLMTBJRCH-UHFFFAOYSA-N
XLogP2.50
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-N-(2,5-difluorophenyl)pyrimidine-2,4-diamine
CID 116796233
2-N-(4-phenylphenyl)pyrimidine-2,4-diamine
CID 71531843
2-N-(2-methoxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 71246669
2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116795439
2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 116796160
2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine
CID 130949775
2-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
CID 116796301
3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol
CID 69399875
2-N-[4-bromo-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 116796985
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
3-[(4-aminopyrimidin-2-yl)amino]benzamide
CID 107811877

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine (CID 116797163) is 2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine is Nc1ccnc(Nc2c(F)c(F)c(F)c(F)c2F)n1.
What is the InChIKey of 2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is LVPSHQLMTBJRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N4/c11-4-5(12)7(14)9(8(15)6(4)13)19-10-17-2-1-3(16)18-10/h1-2H,(H3,16,17,18,19).
What are the key properties of 2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine?
2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 276.17 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3,4,5,6-pentafluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116797163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).