[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone

C14H19F3N4O2 — CID 91835654

IUPAC[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCCCN1C(=O)c1cnc(N)nc1C(F)(F)F
InChIInChI=1S/C14H19F3N4O2/c1-23-7-5-9-4-2-3-6-21(9)12(22)10-8-19-13(18)20-11(10)14(15,16)17/h8-9H,2-7H2,1H3,(H2,18,19,20)
InChIKeyMUJCKIMDTNUVDF-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.11
Rot. Bonds4

About [2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone

[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 91835654) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is [2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID91835654
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCCCN1C(=O)c1cnc(N)nc1C(F)(F)F
InChIInChI=1S/C14H19F3N4O2/c1-23-7-5-9-4-2-3-6-21(9)12(22)10-8-19-13(18)20-11(10)14(15,16)17/h8-9H,2-7H2,1H3,(H2,18,19,20)
InChIKeyMUJCKIMDTNUVDF-UHFFFAOYSA-N
XLogP2.11
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone (CID 91835654) is [2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone is COCCC1CCCCN1C(=O)c1cnc(N)nc1C(F)(F)F.
What is the InChIKey of [2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is MUJCKIMDTNUVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-23-7-5-9-4-2-3-6-21(9)12(22)10-8-19-13(18)20-11(10)14(15,16)17/h8-9H,2-7H2,1H3,(H2,18,19,20).
What are the key properties of [2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone?
[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 332.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 91835654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).