6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine

C13H13F3N4 — CID 80855507

IUPAC6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2c(F)cc(F)cc2F)ncn1
InChIInChI=1S/C13H13F3N4/c1-2-3-17-11-6-12(19-7-18-11)20-13-9(15)4-8(14)5-10(13)16/h4-7H,2-3H2,1H3,(H2,17,18,19,20)
InChIKeyQPTQDCCYUQZISF-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.46
Rot. Bonds5

About 6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine

6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine (PubChem CID 80855507) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine
PubChem CID80855507
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2c(F)cc(F)cc2F)ncn1
InChIInChI=1S/C13H13F3N4/c1-2-3-17-11-6-12(19-7-18-11)20-13-9(15)4-8(14)5-10(13)16/h4-7H,2-3H2,1H3,(H2,17,18,19,20)
InChIKeyQPTQDCCYUQZISF-UHFFFAOYSA-N
XLogP3.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-chloro-2-fluorophenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80801204
6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
CID 79689981
6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112855174
2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179368
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755281
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486
6-N-propyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736803
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257
5-chloro-2-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine
CID 80831318
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80790691

Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine (CID 80855507) is 6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine is CCCNc1cc(Nc2c(F)cc(F)cc2F)ncn1.
What is the InChIKey of 6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is QPTQDCCYUQZISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-2-3-17-11-6-12(19-7-18-11)20-13-9(15)4-8(14)5-10(13)16/h4-7H,2-3H2,1H3,(H2,17,18,19,20).
What are the key properties of 6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine?
6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 282.27 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80855507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).