1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide

C12H19ClN6O — CID 80805665

IUPAC1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide
SMILESCCNc1nc(Cl)nc(N2CC(C(N)=O)CCC2C)n1
InChIInChI=1S/C12H19ClN6O/c1-3-15-11-16-10(13)17-12(18-11)19-6-8(9(14)20)5-4-7(19)2/h7-8H,3-6H2,1-2H3,(H2,14,20)(H,15,16,17,18)
InChIKeyYHLSIKSTJWDWST-UHFFFAOYSA-N
MW298.78 g/mol
LogP1.05
Rot. Bonds4

About 1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide

1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide (PubChem CID 80805665) has the molecular formula C12H19ClN6O and a molecular weight of 298.78 g/mol. Its IUPAC name is 1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide
PubChem CID80805665
Molecular FormulaC12H19ClN6O
Molecular Weight298.78 g/mol
Exact Mass298.13
IUPAC Name1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide
SMILESCCNc1nc(Cl)nc(N2CC(C(N)=O)CCC2C)n1
InChIInChI=1S/C12H19ClN6O/c1-3-15-11-16-10(13)17-12(18-11)19-6-8(9(14)20)5-4-7(19)2/h7-8H,3-6H2,1-2H3,(H2,14,20)(H,15,16,17,18)
InChIKeyYHLSIKSTJWDWST-UHFFFAOYSA-N
XLogP1.05
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 82752307
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
CID 80786083
1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide
CID 66276485
1-[4-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80767278
1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
CID 47357719
1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
CID 63729313
[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea
CID 13196363
1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide
CID 80757168
1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 102761835
1-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
CID 55229121
1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide
CID 107544065
4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80796310

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide (CID 80805665) is 1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide is CCNc1nc(Cl)nc(N2CC(C(N)=O)CCC2C)n1.
What is the InChIKey of 1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide?
The InChIKey is YHLSIKSTJWDWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN6O/c1-3-15-11-16-10(13)17-12(18-11)19-6-8(9(14)20)5-4-7(19)2/h7-8H,3-6H2,1-2H3,(H2,14,20)(H,15,16,17,18).
What are the key properties of 1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide?
1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide has a molecular weight of 298.78 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 80805665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).