5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C15H17F3N4 — CID 117081858

IUPAC5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCCNc1nc(Nc2ccc(C(F)(F)F)cc2)ncc1C
InChIInChI=1S/C15H17F3N4/c1-3-8-19-13-10(2)9-20-14(22-13)21-12-6-4-11(5-7-12)15(16,17)18/h4-7,9H,3,8H2,1-2H3,(H2,19,20,21,22)
InChIKeyDVBRUGZDYOZIEL-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.37
Rot. Bonds5

About 5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 117081858) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID117081858
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC Name5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCCNc1nc(Nc2ccc(C(F)(F)F)cc2)ncc1C
InChIInChI=1S/C15H17F3N4/c1-3-8-19-13-10(2)9-20-14(22-13)21-12-6-4-11(5-7-12)15(16,17)18/h4-7,9H,3,8H2,1-2H3,(H2,19,20,21,22)
InChIKeyDVBRUGZDYOZIEL-UHFFFAOYSA-N
XLogP4.37
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Jnj-38893777
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4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
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US10450297, Example 50
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 117081858) is 5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CCCNc1nc(Nc2ccc(C(F)(F)F)cc2)ncc1C.
What is the InChIKey of 5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is DVBRUGZDYOZIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4/c1-3-8-19-13-10(2)9-20-14(22-13)21-12-6-4-11(5-7-12)15(16,17)18/h4-7,9H,3,8H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 310.32 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-propyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 117081858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).