5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine

C10H13F4N3O — CID 80868468

IUPAC5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OCC(F)(F)C(F)F
InChIInChI=1S/C10H13F4N3O/c1-2-3-6-7(15)16-5-17-8(6)18-4-10(13,14)9(11)12/h5,9H,2-4H2,1H3,(H2,15,16,17)
InChIKeyZRTXHQUBGNOTOL-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.29
Rot. Bonds6

About 5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine

5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (PubChem CID 80868468) has the molecular formula C10H13F4N3O and a molecular weight of 267.23 g/mol. Its IUPAC name is 5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
PubChem CID80868468
Molecular FormulaC10H13F4N3O
Molecular Weight267.23 g/mol
Exact Mass267.10
IUPAC Name5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OCC(F)(F)C(F)F
InChIInChI=1S/C10H13F4N3O/c1-2-3-6-7(15)16-5-17-8(6)18-4-10(13,14)9(11)12/h5,9H,2-4H2,1H3,(H2,15,16,17)
InChIKeyZRTXHQUBGNOTOL-UHFFFAOYSA-N
XLogP2.29
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of 5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine (CID 80868468) is 5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for 5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is CCCc1c(N)ncnc1OCC(F)(F)C(F)F.
What is the InChIKey of 5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
The InChIKey is ZRTXHQUBGNOTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3O/c1-2-3-6-7(15)16-5-17-8(6)18-4-10(13,14)9(11)12/h5,9H,2-4H2,1H3,(H2,15,16,17).
What are the key properties of 5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine?
5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine has a molecular weight of 267.23 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80868468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).