[4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone

C19H23F3N4O2 — CID 59625172

IUPAC[4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1cnc(C(F)(F)F)nc1NCc1ccco1
InChIInChI=1S/C19H23F3N4O2/c1-2-6-13-7-3-4-9-26(13)17(27)15-12-24-18(19(20,21)22)25-16(15)23-11-14-8-5-10-28-14/h5,8,10,12-13H,2-4,6-7,9,11H2,1H3,(H,23,24,25)
InChIKeyCBKYKWXGOSUXCA-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.50
Rot. Bonds6

About [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone

[4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone (PubChem CID 59625172) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone
PubChem CID59625172
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC Name[4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1cnc(C(F)(F)F)nc1NCc1ccco1
InChIInChI=1S/C19H23F3N4O2/c1-2-6-13-7-3-4-9-26(13)17(27)15-12-24-18(19(20,21)22)25-16(15)23-11-14-8-5-10-28-14/h5,8,10,12-13H,2-4,6-7,9,11H2,1H3,(H,23,24,25)
InChIKeyCBKYKWXGOSUXCA-UHFFFAOYSA-N
XLogP4.50
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone (CID 59625172) is [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1cnc(C(F)(F)F)nc1NCc1ccco1.
What is the InChIKey of [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone?
The InChIKey is CBKYKWXGOSUXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-2-6-13-7-3-4-9-26(13)17(27)15-12-24-18(19(20,21)22)25-16(15)23-11-14-8-5-10-28-14/h5,8,10,12-13H,2-4,6-7,9,11H2,1H3,(H,23,24,25).
What are the key properties of [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone?
[4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone has a molecular weight of 396.41 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 59625172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).