4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine

C12H20ClN5O — CID 62859494

IUPAC4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCC(C)N2CCCCC2)n1
InChIInChI=1S/C12H20ClN5O/c1-9(18-6-4-3-5-7-18)8-14-11-15-10(13)16-12(17-11)19-2/h9H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyQNQVWAUJTIIDEH-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.82
Rot. Bonds5

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

4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine (PubChem CID 62859494) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine
PubChem CID62859494
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCC(C)N2CCCCC2)n1
InChIInChI=1S/C12H20ClN5O/c1-9(18-6-4-3-5-7-18)8-14-11-15-10(13)16-12(17-11)19-2/h9H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyQNQVWAUJTIIDEH-UHFFFAOYSA-N
XLogP1.82
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 62862949
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303010
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid
CID 62857957
4-chloro-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-1,3,5-triazin-2-amine
CID 62858154
CID 175413683
CID 175413683
4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine
CID 62994572
N-(2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 61017565
1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol
CID 113430529
4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106197165
4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine
CID 62857307
2-chloro-5-fluoro-N-(2-piperidin-1-ylpropyl)pyrimidin-4-amine
CID 79080736
4-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 83113996

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine (CID 62859494) is 4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCC(C)N2CCCCC2)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is QNQVWAUJTIIDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-9(18-6-4-3-5-7-18)8-14-11-15-10(13)16-12(17-11)19-2/h9H,3-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 285.78 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62859494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).