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

C12H11F3N4 — CID 80825639

IUPAC6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc(F)c(F)c(F)c2)nc(C)n1
InChIInChI=1S/C12H11F3N4/c1-6-17-10(16-2)5-11(18-6)19-7-3-8(13)12(15)9(14)4-7/h3-5H,1-2H3,(H2,16,17,18,19)
InChIKeyACSFPPFNUKMVMB-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.99
Rot. Bonds3

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

6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine (PubChem CID 80825639) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
PubChem CID80825639
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc(F)c(F)c(F)c2)nc(C)n1
InChIInChI=1S/C12H11F3N4/c1-6-17-10(16-2)5-11(18-6)19-7-3-8(13)12(15)9(14)4-7/h3-5H,1-2H3,(H2,16,17,18,19)
InChIKeyACSFPPFNUKMVMB-UHFFFAOYSA-N
XLogP2.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80762879
4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761101
4-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 116701005
4-N,6-N-bis(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877864
4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 83082901
4-N-(3-bromo-4-methylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80829480
2-tert-butyl-4-N-(3,4-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80956391
6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 80729894
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878014
N-(4-chloro-3-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897072
6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877862
4-N-(1,3-benzodioxol-5-yl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80759901

Frequently Asked Questions

What is the IUPAC name of 6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine (CID 80825639) is 6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine is CNc1cc(Nc2cc(F)c(F)c(F)c2)nc(C)n1.
What is the InChIKey of 6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is ACSFPPFNUKMVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-6-17-10(16-2)5-11(18-6)19-7-3-8(13)12(15)9(14)4-7/h3-5H,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine?
6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 268.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-dimethyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80825639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).