4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C8H11F3N4 — CID 58008592

IUPAC4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C8H11F3N4/c1-2-3-13-6-5(8(9,10)11)4-14-7(12)15-6/h4H,2-3H2,1H3,(H3,12,13,14,15)
InChIKeyKZJQSKNCTKYCOB-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.90
Rot. Bonds3

About 4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 58008592) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID58008592
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCCNc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C8H11F3N4/c1-2-3-13-6-5(8(9,10)11)4-14-7(12)15-6/h4H,2-3H2,1H3,(H3,12,13,14,15)
InChIKeyKZJQSKNCTKYCOB-UHFFFAOYSA-N
XLogP1.90
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 58008592) is 4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCCNc1nc(N)ncc1C(F)(F)F.
What is the InChIKey of 4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is KZJQSKNCTKYCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c1-2-3-13-6-5(8(9,10)11)4-14-7(12)15-6/h4H,2-3H2,1H3,(H3,12,13,14,15).
What are the key properties of 4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 220.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 58008592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).