4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C16H20F3N5 — CID 23634363

IUPAC4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCNc1ccnc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H20F3N5/c1-24(2)10-4-8-20-14-7-9-21-15(23-14)22-13-6-3-5-12(11-13)16(17,18)19/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,20,21,22,23)
InChIKeyRGVLMAIAJDIUOO-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.60
Rot. Bonds7

About 4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 23634363) has the molecular formula C16H20F3N5 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID23634363
Molecular FormulaC16H20F3N5
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC Name4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCNc1ccnc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H20F3N5/c1-24(2)10-4-8-20-14-7-9-21-15(23-14)22-13-6-3-5-12(11-13)16(17,18)19/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,20,21,22,23)
InChIKeyRGVLMAIAJDIUOO-UHFFFAOYSA-N
XLogP3.60
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 91504160
4-N-(3-phenylpropyl)-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899308
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109301970
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112912886
4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 23653485
2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 23652519
4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112887656
4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887825
4-N-[3-(dimethylamino)propyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887704
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109168255
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112913066
3,3-dimethyl-N-[3-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]butanamide
CID 71472549

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 23634363) is 4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CN(C)CCCNc1ccnc(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is RGVLMAIAJDIUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5/c1-24(2)10-4-8-20-14-7-9-21-15(23-14)22-13-6-3-5-12(11-13)16(17,18)19/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 339.37 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23634363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).