6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione

C17H23FN4O2 — CID 171034306

IUPAC6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione
SMILESCC(C)N1C(=O)NC(N[C@@H](C)c2cc(C3CC3)ccc2F)NC1=O
InChIInChI=1S/C17H23FN4O2/c1-9(2)22-16(23)20-15(21-17(22)24)19-10(3)13-8-12(11-4-5-11)6-7-14(13)18/h6-11,15,19H,4-5H2,1-3H3,(H,20,23)(H,21,24)/t10-/m0/s1
InChIKeyRPXXUDIVYWSFMN-JTQLQIEISA-N
MW334.40 g/mol
LogP2.78
Rot. Bonds5

About 6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione

6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione (PubChem CID 171034306) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione
PubChem CID171034306
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione
SMILESCC(C)N1C(=O)NC(N[C@@H](C)c2cc(C3CC3)ccc2F)NC1=O
InChIInChI=1S/C17H23FN4O2/c1-9(2)22-16(23)20-15(21-17(22)24)19-10(3)13-8-12(11-4-5-11)6-7-14(13)18/h6-11,15,19H,4-5H2,1-3H3,(H,20,23)(H,21,24)/t10-/m0/s1
InChIKeyRPXXUDIVYWSFMN-JTQLQIEISA-N
XLogP2.78
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione with MolForge

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Related Compounds

(2S)-N-[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
CID 24969353
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CID 51002995
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(methylamino)piperidine-1-carboxamide
CID 53320128
1-Methyl-1-(1-methylpiperidin-4-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 808435
2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 4072352
4-ethyl-N-((1R,2S)-2-phenylcyclopropyl)piperazine-1-carboxamide
CID 44418566
1,4,6-trimethyl-5-phenylhexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione
CID 650212
US20240010639, Example 13
CID 171034313
4-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 753415
1-(1-Ethylpiperidin-4-yl)-3-(4-fluorobenzyl)-1-(piperidin-4-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione (CID 171034306) is 6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione is CC(C)N1C(=O)NC(N[C@@H](C)c2cc(C3CC3)ccc2F)NC1=O.
What is the InChIKey of 6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
The InChIKey is RPXXUDIVYWSFMN-JTQLQIEISA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-9(2)22-16(23)20-15(21-17(22)24)19-10(3)13-8-12(11-4-5-11)6-7-14(13)18/h6-11,15,19H,4-5H2,1-3H3,(H,20,23)(H,21,24)/t10-/m0/s1.
What are the key properties of 6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione?
6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione has a molecular weight of 334.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]amino]-3-propan-2-yl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 171034306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).