2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone

C12H19N5O3 — CID 115677837

IUPAC2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone
SMILESCOc1nc(NCC(=O)N2CCCCC2)nc(OC)n1
InChIInChI=1S/C12H19N5O3/c1-19-11-14-10(15-12(16-11)20-2)13-8-9(18)17-6-4-3-5-7-17/h3-8H2,1-2H3,(H,13,14,15,16)
InChIKeyMULCTSHLDPPHQP-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.31
Rot. Bonds5

About 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone

2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone (PubChem CID 115677837) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone
PubChem CID115677837
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone
SMILESCOc1nc(NCC(=O)N2CCCCC2)nc(OC)n1
InChIInChI=1S/C12H19N5O3/c1-19-11-14-10(15-12(16-11)20-2)13-8-9(18)17-6-4-3-5-7-17/h3-8H2,1-2H3,(H,13,14,15,16)
InChIKeyMULCTSHLDPPHQP-UHFFFAOYSA-N
XLogP0.31
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 114600755
2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 113224733
3-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
CID 122048209
2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
CID 60685891
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
CID 112634766
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 112695001
2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone
CID 62401443
2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile
CID 107545115
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-piperidin-1-ylethanone
CID 108993555
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112691011
2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone
CID 137341603

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone (CID 115677837) is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone is COc1nc(NCC(=O)N2CCCCC2)nc(OC)n1.
What is the InChIKey of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone?
The InChIKey is MULCTSHLDPPHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-19-11-14-10(15-12(16-11)20-2)13-8-9(18)17-6-4-3-5-7-17/h3-8H2,1-2H3,(H,13,14,15,16).
What are the key properties of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone?
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone has a molecular weight of 281.32 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 115677837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).