N-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine

C16H27N5O — CID 694897

IUPACN-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC2CCCC2)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C16H27N5O/c1-3-22-16-19-14(17-13-6-4-5-7-13)18-15(20-16)21-10-8-12(2)9-11-21/h12-13H,3-11H2,1-2H3,(H,17,18,19,20)
InChIKeyDMDCVOVDEHNOAD-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.86
Rot. Bonds5

About N-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine

N-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 694897) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID694897
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC2CCCC2)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C16H27N5O/c1-3-22-16-19-14(17-13-6-4-5-7-13)18-15(20-16)21-10-8-12(2)9-11-21/h12-13H,3-11H2,1-2H3,(H,17,18,19,20)
InChIKeyDMDCVOVDEHNOAD-UHFFFAOYSA-N
XLogP2.86
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

{[4-(Tert-butylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 2990868
N-cyclopentyl-4-ethoxy-6-[4-(2-(18F)fluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 137645377
N-cyclopentyl-6-(morpholin-4-yl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 672863
2-{[4-(Ethylamino)-6-(piperidin-1-YL)-1,3,5-triazin-2-YL]oxy}acetonitrile
CID 1826712
4-ethoxy-N-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80830251
N-cyclopentyl-4-ethoxy-6-[4-(2-fluoroethyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 137631157
2-N-cyclopentyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 13577414
6-[4-(aminomethyl)piperidin-1-yl]-2-N,4-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 140289198
6-[4-(aminomethyl)piperidin-1-yl]-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 140289199
2,4-Dimethoxy-6-(4-methylpiperidin-1-ium-1-yl)-1,3,5-triazine chloride
CID 141014854
2-N-tert-butyl-4-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 1543886
N-cyclopentyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidine-4-carboxamide
CID 3222660

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine (CID 694897) is N-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine is CCOc1nc(NC2CCCC2)nc(N2CCC(C)CC2)n1.
What is the InChIKey of N-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is DMDCVOVDEHNOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-3-22-16-19-14(17-13-6-4-5-7-13)18-15(20-16)21-10-8-12(2)9-11-21/h12-13H,3-11H2,1-2H3,(H,17,18,19,20).
What are the key properties of N-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine?
N-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 305.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-ethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 694897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).