6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine

C13H19F3N4 — CID 106219572

IUPAC6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N4/c1-3-5-9-10(17-4-2)18-8-19-11(9)20-12(6-7-12)13(14,15)16/h8H,3-7H2,1-2H3,(H2,17,18,19,20)
InChIKeyMFROLJAFJAUQLW-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.37
Rot. Bonds6

About 6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine

6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine (PubChem CID 106219572) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
PubChem CID106219572
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N4/c1-3-5-9-10(17-4-2)18-8-19-11(9)20-12(6-7-12)13(14,15)16/h8H,3-7H2,1-2H3,(H2,17,18,19,20)
InChIKeyMFROLJAFJAUQLW-UHFFFAOYSA-N
XLogP3.37
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.37
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-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine (CID 106219572) is 6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1NC1(C(F)(F)F)CC1.
What is the InChIKey of 6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The InChIKey is MFROLJAFJAUQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-3-5-9-10(17-4-2)18-8-19-11(9)20-12(6-7-12)13(14,15)16/h8H,3-7H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
6-N-ethyl-5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine has a molecular weight of 288.32 g/mol, XLogP of 3.37, 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-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106219572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).