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

C14H23F3N4 — CID 106772089

IUPAC4-N-methyl-4-N-(2-methylbutan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C(C)(C)CC)nc(C(F)(F)F)n1
InChIInChI=1S/C14H23F3N4/c1-6-8-18-10-9-11(21(5)13(3,4)7-2)20-12(19-10)14(15,16)17/h9H,6-8H2,1-5H3,(H,18,19,20)
InChIKeyOFRIGNQUMIDDDO-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.94
Rot. Bonds6

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

4-N-methyl-4-N-(2-methylbutan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772089) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-methylbutan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772089
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name4-N-methyl-4-N-(2-methylbutan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C(C)(C)CC)nc(C(F)(F)F)n1
InChIInChI=1S/C14H23F3N4/c1-6-8-18-10-9-11(21(5)13(3,4)7-2)20-12(19-10)14(15,16)17/h9H,6-8H2,1-5H3,(H,18,19,20)
InChIKeyOFRIGNQUMIDDDO-UHFFFAOYSA-N
XLogP3.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N,6-N-tripropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770292
6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774344
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
6-N-ethyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770291
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769168
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
6-N-ethyl-4-N-methyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770662
4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772999
4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771739
methyl 3-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanoate
CID 106771014
1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 106772441

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772089) is 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCCNc1cc(N(C)C(C)(C)CC)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is OFRIGNQUMIDDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-6-8-18-10-9-11(21(5)13(3,4)7-2)20-12(19-10)14(15,16)17/h9H,6-8H2,1-5H3,(H,18,19,20).
What are the key properties of 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-methyl-4-N-(2-methylbutan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 304.36 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-methylbutan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).