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

C11H15F3N4 — CID 114159806

IUPAC5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N4/c1-2-3-7-8(15)16-6-17-9(7)18-10(4-5-10)11(12,13)14/h6H,2-5H2,1H3,(H3,15,16,17,18)
InChIKeyUMWOZHCXLDZLGB-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.52
Rot. Bonds4

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

5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine (PubChem CID 114159806) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
PubChem CID114159806
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N4/c1-2-3-7-8(15)16-6-17-9(7)18-10(4-5-10)11(12,13)14/h6H,2-5H2,1H3,(H3,15,16,17,18)
InChIKeyUMWOZHCXLDZLGB-UHFFFAOYSA-N
XLogP2.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine (CID 114159806) is 5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine is CCCc1c(N)ncnc1NC1(C(F)(F)F)CC1.
What is the InChIKey of 5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
The InChIKey is UMWOZHCXLDZLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-2-3-7-8(15)16-6-17-9(7)18-10(4-5-10)11(12,13)14/h6H,2-5H2,1H3,(H3,15,16,17,18).
What are the key properties of 5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine?
5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine has a molecular weight of 260.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 114159806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).