[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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Related Compounds

[4-(furan-2-ylmethylamino)-2-(trifluoromethyl)pyrimidin-5-yl]-(2-propylpiperidin-1-yl)methanone
CID 59625172
2-tert-butyl-N-ethyl-4-(furan-2-ylmethylamino)-N-piperidin-3-ylpyrimidine-5-carboxamide
CID 134153167
[2-cyclopropyl-4-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 59625555
4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140123
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 8541815
2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)-N-[(3R)-piperidin-3-yl]pyrimidine-5-carboxamide
CID 59625217
2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 59625202
2-tert-butyl-4-(furan-2-ylmethylamino)-N-[(5R)-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide;dihydrochloride
CID 158108789
2-tert-butyl-4-(furan-2-ylmethylamino)-N-[(5R)-5-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 59625613
[2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 168525088
(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 120607916
2-tert-butyl-4-(furan-2-ylmethylamino)-N-[(3R,5S)-5-hydrazinylpiperidin-3-yl]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 59625238

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).