4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine

C12H20ClN5O — CID 55124369

IUPAC4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC2CCCN(C)C2)n1
InChIInChI=1S/C12H20ClN5O/c1-3-19-12-16-10(13)15-11(17-12)14-7-9-5-4-6-18(2)8-9/h9H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyPYJBPMRUQFOMAO-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.68
Rot. Bonds5

About 4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 55124369) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID55124369
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC2CCCN(C)C2)n1
InChIInChI=1S/C12H20ClN5O/c1-3-19-12-16-10(13)15-11(17-12)14-7-9-5-4-6-18(2)8-9/h9H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyPYJBPMRUQFOMAO-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-ethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62858554
4-chloro-6-ethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 114130959
4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63706907
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62865100
4-chloro-N-(1-methylpiperidin-3-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 62864239
6-ethoxy-4-N-ethyl-2-N-(1-methylpiperidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 80798193
6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80790390
6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811730
4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-ethoxy-1,3,5-triazin-2-amine
CID 107164920
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62865015
2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 79632916

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine (CID 55124369) is 4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NCC2CCCN(C)C2)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is PYJBPMRUQFOMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-3-19-12-16-10(13)15-11(17-12)14-7-9-5-4-6-18(2)8-9/h9H,3-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 285.78 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).