4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile

C8H3F7N4 — CID 86614626

IUPAC4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(C(F)(F)C(F)(F)C(F)(F)F)nc1N
InChIInChI=1S/C8H3F7N4/c9-6(10,7(11,12)8(13,14)15)5-18-2-3(1-16)4(17)19-5/h2H,(H2,17,18,19)
InChIKeyLULYEDKAPUSTAC-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.22
Rot. Bonds2

About 4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile

4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile (PubChem CID 86614626) has the molecular formula C8H3F7N4 and a molecular weight of 288.13 g/mol. Its IUPAC name is 4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile
PubChem CID86614626
Molecular FormulaC8H3F7N4
Molecular Weight288.13 g/mol
Exact Mass288.02
IUPAC Name4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(C(F)(F)C(F)(F)C(F)(F)F)nc1N
InChIInChI=1S/C8H3F7N4/c9-6(10,7(11,12)8(13,14)15)5-18-2-3(1-16)4(17)19-5/h2H,(H2,17,18,19)
InChIKeyLULYEDKAPUSTAC-UHFFFAOYSA-N
XLogP2.22
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-2-methylpyrimidine-5-carbonitrile
CID 69682
4-Amino-5-pyrimidinecarbonitrile
CID 737208
2,4-Diaminopyrimidine-5-carbonitrile
CID 282115
4-Amino-2-(diethylamino)-5-pyrimidinecarbonitrile
CID 2816412
4-Amino-2-chloropyrimidine-5-carbonitrile
CID 2801166
4-Amino-2-methoxypyrimidine-5-carbonitrile
CID 248964
2-Aminopyrimidine-5-carbonitrile
CID 3814492
2-Chloro-5-(trifluoromethyl)pyrimidin-4-amine
CID 72183117
4-Amino-2-bromopyrimidine-5-carbonitrile
CID 2735285
4-Amino-2-ethylpyrimidine-5-carbonitrile
CID 23278256
2,4-Difluoro-5-(trifluoromethyl)pyrimidine
CID 11116707
5-(Trifluoromethyl)pyrimidin-2-amine
CID 15273574

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile (CID 86614626) is 4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile is N#Cc1cnc(C(F)(F)C(F)(F)C(F)(F)F)nc1N.
What is the InChIKey of 4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile?
The InChIKey is LULYEDKAPUSTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F7N4/c9-6(10,7(11,12)8(13,14)15)5-18-2-3(1-16)4(17)19-5/h2H,(H2,17,18,19).
What are the key properties of 4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile?
4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile has a molecular weight of 288.13 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 86614626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).