4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine

C16H20F3N5O — CID 51855014

IUPAC4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCn1cc(-c2cc(C(F)(F)F)nc(NC[C@H]3CCCO3)n2)c(C)n1
InChIInChI=1S/C16H20F3N5O/c1-3-24-9-12(10(2)23-24)13-7-14(16(17,18)19)22-15(21-13)20-8-11-5-4-6-25-11/h7,9,11H,3-6,8H2,1-2H3,(H,20,21,22)/t11-/m1/s1
InChIKeyUXNWIGUKSNJVHH-LLVKDONJSA-N
MW355.36 g/mol
LogP3.28
Rot. Bonds5

About 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine

4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 51855014) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID51855014
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCn1cc(-c2cc(C(F)(F)F)nc(NC[C@H]3CCCO3)n2)c(C)n1
InChIInChI=1S/C16H20F3N5O/c1-3-24-9-12(10(2)23-24)13-7-14(16(17,18)19)22-15(21-13)20-8-11-5-4-6-25-11/h7,9,11H,3-6,8H2,1-2H3,(H,20,21,22)/t11-/m1/s1
InChIKeyUXNWIGUKSNJVHH-LLVKDONJSA-N
XLogP3.28
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine (CID 51855014) is 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine is CCn1cc(-c2cc(C(F)(F)F)nc(NC[C@H]3CCCO3)n2)c(C)n1.
What is the InChIKey of 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is UXNWIGUKSNJVHH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-3-24-9-12(10(2)23-24)13-7-14(16(17,18)19)22-15(21-13)20-8-11-5-4-6-25-11/h7,9,11H,3-6,8H2,1-2H3,(H,20,21,22)/t11-/m1/s1.
What are the key properties of 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 355.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-methylpyrazol-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 51855014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).