6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine

C10H16F3N5 — CID 80847003

IUPAC6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(C)CCC(F)(F)F)nc(N)n1
InChIInChI=1S/C10H16F3N5/c1-3-15-7-6-8(17-9(14)16-7)18(2)5-4-10(11,12)13/h6H,3-5H2,1-2H3,(H3,14,15,16,17)
InChIKeyIBAZJTATZUUIQP-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.88
Rot. Bonds5

About 6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine (PubChem CID 80847003) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
PubChem CID80847003
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC Name6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(C)CCC(F)(F)F)nc(N)n1
InChIInChI=1S/C10H16F3N5/c1-3-15-7-6-8(17-9(14)16-7)18(2)5-4-10(11,12)13/h6H,3-5H2,1-2H3,(H3,14,15,16,17)
InChIKeyIBAZJTATZUUIQP-UHFFFAOYSA-N
XLogP1.88
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine (CID 80847003) is 6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine is CCNc1cc(N(C)CCC(F)(F)F)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine?
The InChIKey is IBAZJTATZUUIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5/c1-3-15-7-6-8(17-9(14)16-7)18(2)5-4-10(11,12)13/h6H,3-5H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine has a molecular weight of 263.27 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80847003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).