4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile

C7H2F6N4 — CID 12864075

IUPAC4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C7H2F6N4/c8-6(9,10)3-2(1-14)4(15)17-5(16-3)7(11,12)13/h(H2,15,16,17)
InChIKeyRXKRAKYMVZYSJP-UHFFFAOYSA-N
MW256.11 g/mol
LogP1.97
Rot. Bonds

About 4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile

4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile (PubChem CID 12864075) has the molecular formula C7H2F6N4 and a molecular weight of 256.11 g/mol. Its IUPAC name is 4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile
PubChem CID12864075
Molecular FormulaC7H2F6N4
Molecular Weight256.11 g/mol
Exact Mass256.02
IUPAC Name4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C7H2F6N4/c8-6(9,10)3-2(1-14)4(15)17-5(16-3)7(11,12)13/h(H2,15,16,17)
InChIKeyRXKRAKYMVZYSJP-UHFFFAOYSA-N
XLogP1.97
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile (CID 12864075) is 4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile is N#Cc1c(N)nc(C(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile?
The InChIKey is RXKRAKYMVZYSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F6N4/c8-6(9,10)3-2(1-14)4(15)17-5(16-3)7(11,12)13/h(H2,15,16,17).
What are the key properties of 4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile?
4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile has a molecular weight of 256.11 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-bis(trifluoromethyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 12864075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).