N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine

C13H14F3N3OS — CID 106774376

IUPACN-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(OCc2cccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3OS/c1-2-5-17-10-7-11(19-12(18-10)13(14,15)16)20-8-9-4-3-6-21-9/h3-4,6-7H,2,5,8H2,1H3,(H,17,18,19)
InChIKeyCUBPVRCMOAGUSV-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.96
Rot. Bonds6

About N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine

N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774376) has the molecular formula C13H14F3N3OS and a molecular weight of 317.34 g/mol. Its IUPAC name is N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774376
Molecular FormulaC13H14F3N3OS
Molecular Weight317.34 g/mol
Exact Mass317.08
IUPAC NameN-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(OCc2cccs2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3OS/c1-2-5-17-10-7-11(19-12(18-10)13(14,15)16)20-8-9-4-3-6-21-9/h3-4,6-7H,2,5,8H2,1H3,(H,17,18,19)
InChIKeyCUBPVRCMOAGUSV-UHFFFAOYSA-N
XLogP3.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774376) is N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(OCc2cccs2)nc(C(F)(F)F)n1.
What is the InChIKey of N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is CUBPVRCMOAGUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3OS/c1-2-5-17-10-7-11(19-12(18-10)13(14,15)16)20-8-9-4-3-6-21-9/h3-4,6-7H,2,5,8H2,1H3,(H,17,18,19).
What are the key properties of N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine?
N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 317.34 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).