5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one

C13H22N6O2 — CID 80826878

IUPAC5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one
SMILESCCCNc1nc(NC2CCC(=O)N(C)C2)nc(OC)n1
InChIInChI=1S/C13H22N6O2/c1-4-7-14-11-16-12(18-13(17-11)21-3)15-9-5-6-10(20)19(2)8-9/h9H,4-8H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyDLEUKRBMTYRALT-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.73
Rot. Bonds6

About 5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one

5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one (PubChem CID 80826878) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one
PubChem CID80826878
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one
SMILESCCCNc1nc(NC2CCC(=O)N(C)C2)nc(OC)n1
InChIInChI=1S/C13H22N6O2/c1-4-7-14-11-16-12(18-13(17-11)21-3)15-9-5-6-10(20)19(2)8-9/h9H,4-8H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyDLEUKRBMTYRALT-UHFFFAOYSA-N
XLogP0.73
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one with MolForge

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Related Compounds

1-methyl-5-(propylamino)piperidin-2-one
CID 64655123
2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782877
5-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]piperidin-2-one
CID 80816786
5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one
CID 167881840
2-N-(2,2-dimethylcyclohexyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836617
2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766247
5-(butylamino)-1-methylpiperidin-2-one
CID 64655124
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215694
5-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-1-methylpiperidin-2-one
CID 66275820
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
N-(1-methyl-6-oxopiperidin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 64669855
N-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80788626

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one (CID 80826878) is 5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one is CCCNc1nc(NC2CCC(=O)N(C)C2)nc(OC)n1.
What is the InChIKey of 5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one?
The InChIKey is DLEUKRBMTYRALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-4-7-14-11-16-12(18-13(17-11)21-3)15-9-5-6-10(20)19(2)8-9/h9H,4-8H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one?
5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one has a molecular weight of 294.36 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 80826878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).