2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

C15H27N5O — CID 80820353

IUPAC2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC(C)C2CCCC2)nc(OCC)n1
InChIInChI=1S/C15H27N5O/c1-4-10-16-13-18-14(20-15(19-13)21-5-2)17-11(3)12-8-6-7-9-12/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyNHQVBPQXNFXSPD-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.08
Rot. Bonds8

About 2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80820353) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80820353
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC(C)C2CCCC2)nc(OCC)n1
InChIInChI=1S/C15H27N5O/c1-4-10-16-13-18-14(20-15(19-13)21-5-2)17-11(3)12-8-6-7-9-12/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyNHQVBPQXNFXSPD-UHFFFAOYSA-N
XLogP3.08
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80781052
2-N-(1-cyclopentylethyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821468
2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766247
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911202
6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80817723
4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80888903
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771171
6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 114541934
6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80782108

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80820353) is 2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NC(C)C2CCCC2)nc(OCC)n1.
What is the InChIKey of 2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NHQVBPQXNFXSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-10-16-13-18-14(20-15(19-13)21-5-2)17-11(3)12-8-6-7-9-12/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 293.42 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80820353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).