4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C16H21N5O — CID 653671

IUPAC4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2cccc(C)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H21N5O/c1-12-7-6-8-13(11-12)17-14-18-15(20-16(19-14)22-2)21-9-4-3-5-10-21/h6-8,11H,3-5,9-10H2,1-2H3,(H,17,18,19,20)
InChIKeyCNQIVIZEBHUGMV-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.92
Rot. Bonds4

About 4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 653671) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID653671
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2cccc(C)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H21N5O/c1-12-7-6-8-13(11-12)17-14-18-15(20-16(19-14)22-2)21-9-4-3-5-10-21/h6-8,11H,3-5,9-10H2,1-2H3,(H,17,18,19,20)
InChIKeyCNQIVIZEBHUGMV-UHFFFAOYSA-N
XLogP2.92
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1117926
2-[[4-(3-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 3146158
2-[[4-(4-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648018
N2,N2-dimethyl-N4-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
CID 71584599
2-N-(4-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 666466
6-methoxy-N-[2-(4-morpholinyl)ethyl]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 694565
(4-Chloro-6-piperidyl(1,3,5-triazin-2-yl))phenylamine
CID 836972
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-(4-methylphenyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 1068748
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-(3-trifluoromethyl-phenyl)-amine
CID 1089222
6-Ethoxy-N-(2-morpholin-4-yl-ethyl)-N'-p-tolyl-[1,3,5]triazine-2,4-diamine
CID 1109291
N-(4-ethylphenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580226

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 653671) is 4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is COc1nc(Nc2cccc(C)c2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is CNQIVIZEBHUGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-7-6-8-13(11-12)17-14-18-15(20-16(19-14)22-2)21-9-4-3-5-10-21/h6-8,11H,3-5,9-10H2,1-2H3,(H,17,18,19,20).
What are the key properties of 4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 299.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 653671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).