6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C11H17F3N4 — CID 80786065

IUPAC6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1NCC(F)(F)F
InChIInChI=1S/C11H17F3N4/c1-3-5-8-9(15-4-2)17-7-18-10(8)16-6-11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyZYPQAYOAFQZUKX-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.84
Rot. Bonds6

About 6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80786065) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80786065
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1NCC(F)(F)F
InChIInChI=1S/C11H17F3N4/c1-3-5-8-9(15-4-2)17-7-18-10(8)16-6-11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyZYPQAYOAFQZUKX-UHFFFAOYSA-N
XLogP2.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80786065) is 6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1NCC(F)(F)F.
What is the InChIKey of 6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is ZYPQAYOAFQZUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-3-5-8-9(15-4-2)17-7-18-10(8)16-6-11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80786065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).