N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C15H20F3N5 — CID 56868088

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCc1cc(C)n(C(C)CNc2nccc(CCC(F)(F)F)n2)n1
InChIInChI=1S/C15H20F3N5/c1-10-8-11(2)23(22-10)12(3)9-20-14-19-7-5-13(21-14)4-6-15(16,17)18/h5,7-8,12H,4,6,9H2,1-3H3,(H,19,20,21)
InChIKeyHQRSTVDLZYHKQE-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56868088) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56868088
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCc1cc(C)n(C(C)CNc2nccc(CCC(F)(F)F)n2)n1
InChIInChI=1S/C15H20F3N5/c1-10-8-11(2)23(22-10)12(3)9-20-14-19-7-5-13(21-14)4-6-15(16,17)18/h5,7-8,12H,4,6,9H2,1-3H3,(H,19,20,21)
InChIKeyHQRSTVDLZYHKQE-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56868088) is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is Cc1cc(C)n(C(C)CNc2nccc(CCC(F)(F)F)n2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is HQRSTVDLZYHKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-10-8-11(2)23(22-10)12(3)9-20-14-19-7-5-13(21-14)4-6-15(16,17)18/h5,7-8,12H,4,6,9H2,1-3H3,(H,19,20,21).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 327.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56868088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).