6-(cyclopentylmethoxy)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

C14H20F3N3O — CID 106774649

IUPAC6-(cyclopentylmethoxy)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(OCC2CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O/c1-2-7-18-11-8-12(20-13(19-11)14(15,16)17)21-9-10-5-3-4-6-10/h8,10H,2-7,9H2,1H3,(H,18,19,20)
InChIKeyVHALQYLQRJFMKV-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.89
Rot. Bonds6

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

6-(cyclopentylmethoxy)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774649) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 6-(cyclopentylmethoxy)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(cyclopentylmethoxy)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774649
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name6-(cyclopentylmethoxy)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(OCC2CCCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O/c1-2-7-18-11-8-12(20-13(19-11)14(15,16)17)21-9-10-5-3-4-6-10/h8,10H,2-7,9H2,1H3,(H,18,19,20)
InChIKeyVHALQYLQRJFMKV-UHFFFAOYSA-N
XLogP3.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethoxy)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(cyclopentylmethoxy)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774649) is 6-(cyclopentylmethoxy)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(cyclopentylmethoxy)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(cyclopentylmethoxy)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(OCC2CCCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(cyclopentylmethoxy)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is VHALQYLQRJFMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-7-18-11-8-12(20-13(19-11)14(15,16)17)21-9-10-5-3-4-6-10/h8,10H,2-7,9H2,1H3,(H,18,19,20).
What are the key properties of 6-(cyclopentylmethoxy)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(cyclopentylmethoxy)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 303.33 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethoxy)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).