N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide

C12H19ClN6O — CID 102737118

IUPACN-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide
SMILESCNc1nc(Cl)nc(N2CCC(CNC(C)=O)CC2)n1
InChIInChI=1S/C12H19ClN6O/c1-8(20)15-7-9-3-5-19(6-4-9)12-17-10(13)16-11(14-2)18-12/h9H,3-7H2,1-2H3,(H,15,20)(H,14,16,17,18)
InChIKeyMUXUBOQRFNDNJP-UHFFFAOYSA-N
MW298.78 g/mol
LogP0.92
Rot. Bonds4

About N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide

N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide (PubChem CID 102737118) has the molecular formula C12H19ClN6O and a molecular weight of 298.78 g/mol. Its IUPAC name is N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide
PubChem CID102737118
Molecular FormulaC12H19ClN6O
Molecular Weight298.78 g/mol
Exact Mass298.13
IUPAC NameN-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide
SMILESCNc1nc(Cl)nc(N2CCC(CNC(C)=O)CC2)n1
InChIInChI=1S/C12H19ClN6O/c1-8(20)15-7-9-3-5-19(6-4-9)12-17-10(13)16-11(14-2)18-12/h9H,3-7H2,1-2H3,(H,15,20)(H,14,16,17,18)
InChIKeyMUXUBOQRFNDNJP-UHFFFAOYSA-N
XLogP0.92
TPSA83.04 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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 20647596
1-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanone
CID 80820474
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107824
4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80796310
4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80837933
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
CID 80784909
N-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide
CID 102736651
4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80793568
N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
CID 102737062
1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
CID 80779384
N-(cyclohexylmethyl)-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
CID 25117870
4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80831513

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide (CID 102737118) is N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide is CNc1nc(Cl)nc(N2CCC(CNC(C)=O)CC2)n1.
What is the InChIKey of N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide?
The InChIKey is MUXUBOQRFNDNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN6O/c1-8(20)15-7-9-3-5-19(6-4-9)12-17-10(13)16-11(14-2)18-12/h9H,3-7H2,1-2H3,(H,15,20)(H,14,16,17,18).
What are the key properties of N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide?
N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide has a molecular weight of 298.78 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102737118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).