4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H19F3N4 — CID 114565958

IUPAC4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(C)C2CCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4/c1-3-7-17-12-18-10(13(14,15)16)8-11(19-12)20(2)9-5-4-6-9/h8-9H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyDVODIOJPRSUHBJ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.31
Rot. Bonds5

About 4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565958) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565958
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(N(C)C2CCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4/c1-3-7-17-12-18-10(13(14,15)16)8-11(19-12)20(2)9-5-4-6-9/h8-9H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyDVODIOJPRSUHBJ-UHFFFAOYSA-N
XLogP3.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566983
1-[methyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564867
2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564596
4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565088
4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565531
2-N,4-N-dimethyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564203
2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562925
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403023
4-(cyclopentylmethylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566838
4-N-(2,2-dimethylcyclopropyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564776
4-(3-methylpiperidin-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563756
4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564199

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565958) is 4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCCNc1nc(N(C)C2CCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is DVODIOJPRSUHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-3-7-17-12-18-10(13(14,15)16)8-11(19-12)20(2)9-5-4-6-9/h8-9H,3-7H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 288.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).