5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C15H20F3N5 — CID 68952606

IUPAC5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCc1nc(-n2cccn2)nc(NCC(F)(F)F)c1C(C)CC
InChIInChI=1S/C15H20F3N5/c1-4-10(3)12-11(5-2)21-14(23-8-6-7-20-23)22-13(12)19-9-15(16,17)18/h6-8,10H,4-5,9H2,1-3H3,(H,19,21,22)
InChIKeyDKDFNBOYEGVMSV-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.71
Rot. Bonds6

About 5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 68952606) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is 5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID68952606
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCc1nc(-n2cccn2)nc(NCC(F)(F)F)c1C(C)CC
InChIInChI=1S/C15H20F3N5/c1-4-10(3)12-11(5-2)21-14(23-8-6-7-20-23)22-13(12)19-9-15(16,17)18/h6-8,10H,4-5,9H2,1-3H3,(H,19,21,22)
InChIKeyDKDFNBOYEGVMSV-UHFFFAOYSA-N
XLogP3.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 68952606) is 5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCc1nc(-n2cccn2)nc(NCC(F)(F)F)c1C(C)CC.
What is the InChIKey of 5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is DKDFNBOYEGVMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-4-10(3)12-11(5-2)21-14(23-8-6-7-20-23)22-13(12)19-9-15(16,17)18/h6-8,10H,4-5,9H2,1-3H3,(H,19,21,22).
What are the key properties of 5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 327.35 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 68952606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).