2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C17H21F3N4 — CID 112901322

IUPAC2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCCN(CCC)c1nccc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H21F3N4/c1-3-11-24(12-4-2)16-21-10-9-15(23-16)22-14-7-5-13(6-8-14)17(18,19)20/h5-10H,3-4,11-12H2,1-2H3,(H,21,22,23)
InChIKeyABMHREYWDASFMA-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.87
Rot. Bonds7

About 2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 112901322) has the molecular formula C17H21F3N4 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID112901322
Molecular FormulaC17H21F3N4
Molecular Weight338.38 g/mol
Exact Mass338.17
IUPAC Name2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCCN(CCC)c1nccc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H21F3N4/c1-3-11-24(12-4-2)16-21-10-9-15(23-16)22-14-7-5-13(6-8-14)17(18,19)20/h5-10H,3-4,11-12H2,1-2H3,(H,21,22,23)
InChIKeyABMHREYWDASFMA-UHFFFAOYSA-N
XLogP4.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901298
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312928
4-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901347
2-N-ethyl-2-N-(3-methylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112905566
4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901361
2-N-(3,5-dimethylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112902638
4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901279
4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112882540
2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112892604
2-N-[(4-fluorophenyl)methyl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112891595
2-N,2-N-diethyl-4-N,4-N-dimethyl-6-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 141423014
2-N,2-N-diethyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112899230

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 112901322) is 2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CCCN(CCC)c1nccc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is ABMHREYWDASFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4/c1-3-11-24(12-4-2)16-21-10-9-15(23-16)22-14-7-5-13(6-8-14)17(18,19)20/h5-10H,3-4,11-12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 338.38 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112901322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).