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

C17H19F3N4O2 — CID 59625406

IUPAC[4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cnc(C(F)(F)F)nc1NCc1ccco1
InChIInChI=1S/C17H19F3N4O2/c1-11-5-2-3-7-24(11)15(25)13-10-22-16(17(18,19)20)23-14(13)21-9-12-6-4-8-26-12/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,21,22,23)
InChIKeyRKSWNBDBCHJFQC-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.72
Rot. Bonds4

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

[4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 59625406) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID59625406
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name[4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cnc(C(F)(F)F)nc1NCc1ccco1
InChIInChI=1S/C17H19F3N4O2/c1-11-5-2-3-7-24(11)15(25)13-10-22-16(17(18,19)20)23-14(13)21-9-12-6-4-8-26-12/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,21,22,23)
InChIKeyRKSWNBDBCHJFQC-UHFFFAOYSA-N
XLogP3.72
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.72
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-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-methylpiperidin-1-yl)methanone (CID 59625406) is [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cnc(C(F)(F)F)nc1NCc1ccco1.
What is the InChIKey of [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is RKSWNBDBCHJFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-11-5-2-3-7-24(11)15(25)13-10-22-16(17(18,19)20)23-14(13)21-9-12-6-4-8-26-12/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,21,22,23).
What are the key properties of [4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-methylpiperidin-1-yl)methanone?
[4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 368.36 g/mol, XLogP of 3.72, 4 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-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 59625406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).