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

C14H24ClN5O — CID 106193903

IUPAC4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCCN2CCC(C)CC2)n1
InChIInChI=1S/C14H24ClN5O/c1-3-10-21-14-18-12(15)17-13(19-14)16-6-9-20-7-4-11(2)5-8-20/h11H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeyJPABDCAAAVHJDI-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.46
Rot. Bonds7

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

4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 106193903) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID106193903
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCCN2CCC(C)CC2)n1
InChIInChI=1S/C14H24ClN5O/c1-3-10-21-14-18-12(15)17-13(19-14)16-6-9-20-7-4-11(2)5-8-20/h11H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeyJPABDCAAAVHJDI-UHFFFAOYSA-N
XLogP2.46
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(2-morpholin-4-ylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62870405
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 115974679
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62865100
4-chloro-N-[(3-methylcyclopentyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 107414801
4-chloro-N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 80870825
2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80804374
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
CID 55124107
4-chloro-N-(1-methylpiperidin-3-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 62864239
4-hydrazinyl-6-propoxy-N-(2-thiomorpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 106327660
6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 114009389
4-chloro-N-pent-4-ynyl-6-propoxy-1,3,5-triazin-2-amine
CID 106223061

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine (CID 106193903) is 4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NCCN2CCC(C)CC2)n1.
What is the InChIKey of 4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is JPABDCAAAVHJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-3-10-21-14-18-12(15)17-13(19-14)16-6-9-20-7-4-11(2)5-8-20/h11H,3-10H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 313.83 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106193903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).