4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C10H15F3N4 — CID 80814654

IUPAC4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CC(F)(F)F)ncn1
InChIInChI=1S/C10H15F3N4/c1-3-14-8-5-9(16-7-15-8)17(4-2)6-10(11,12)13/h5,7H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyVYVDFDLABPWWMO-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.30
Rot. Bonds5

About 4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80814654) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80814654
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CC(F)(F)F)ncn1
InChIInChI=1S/C10H15F3N4/c1-3-14-8-5-9(16-7-15-8)17(4-2)6-10(11,12)13/h5,7H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyVYVDFDLABPWWMO-UHFFFAOYSA-N
XLogP2.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80814654) is 4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCNc1cc(N(CC)CC(F)(F)F)ncn1.
What is the InChIKey of 4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is VYVDFDLABPWWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-3-14-8-5-9(16-7-15-8)17(4-2)6-10(11,12)13/h5,7H,3-4,6H2,1-2H3,(H,14,15,16).
What are the key properties of 4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 248.25 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80814654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).