6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C14H15F3N4 — CID 115915258

IUPAC6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC(F)(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C14H15F3N4/c1-2-18-11-8-12(19-9-14(15,16)17)21-13(20-11)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H2,18,19,20,21)
InChIKeyISOITIFPYBTMJD-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.55
Rot. Bonds5

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

6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 115915258) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID115915258
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC(F)(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C14H15F3N4/c1-2-18-11-8-12(19-9-14(15,16)17)21-13(20-11)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H2,18,19,20,21)
InChIKeyISOITIFPYBTMJD-UHFFFAOYSA-N
XLogP3.55
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 115915739
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine
CID 115915170
N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 113353653
N-ethyl-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 62191461
6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115915212
N-ethyl-2-phenyl-6-pyrazin-2-ylpyrimidin-4-amine
CID 115915110
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 112559667
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179314
N-ethyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915870
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 114943692

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 115915258) is 6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCNc1cc(NCC(F)(F)F)nc(-c2ccccc2)n1.
What is the InChIKey of 6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is ISOITIFPYBTMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-2-18-11-8-12(19-9-14(15,16)17)21-13(20-11)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 296.30 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115915258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).