propan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate

C17H29N7O3 — CID 110178687

IUPACpropan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate
SMILESCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)OC(C)C)CC2)n1
InChIInChI=1S/C17H29N7O3/c1-4-18-14-19-15(21-16(20-14)23-9-11-26-12-10-23)22-5-7-24(8-6-22)17(25)27-13(2)3/h13H,4-12H2,1-3H3,(H,18,19,20,21)
InChIKeyUGGABBXRYIERAE-UHFFFAOYSA-N
MW379.47 g/mol
LogP0.81
Rot. Bonds5

About propan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate

propan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate (PubChem CID 110178687) has the molecular formula C17H29N7O3 and a molecular weight of 379.47 g/mol. Its IUPAC name is propan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate
PubChem CID110178687
Molecular FormulaC17H29N7O3
Molecular Weight379.47 g/mol
Exact Mass379.23
IUPAC Namepropan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate
SMILESCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)OC(C)C)CC2)n1
InChIInChI=1S/C17H29N7O3/c1-4-18-14-19-15(21-16(20-14)23-9-11-26-12-10-23)22-5-7-24(8-6-22)17(25)27-13(2)3/h13H,4-12H2,1-3H3,(H,18,19,20,21)
InChIKeyUGGABBXRYIERAE-UHFFFAOYSA-N
XLogP0.81
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze propan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-N-butan-2-yl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765648
N-ethyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 34253082
4-N-ethyl-6-morpholin-4-yl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80750303
1-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80800667
N-ethyl-4-morpholin-4-yl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989518
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid
CID 4767395
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethanol
CID 80866849
2-N-cyclobutyl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80826457
1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80766965
2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 645138
1-[4-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80767278
methyl 2-[[1-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 32802381

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate (CID 110178687) is propan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate is CCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)OC(C)C)CC2)n1.
What is the InChIKey of propan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate?
The InChIKey is UGGABBXRYIERAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7O3/c1-4-18-14-19-15(21-16(20-14)23-9-11-26-12-10-23)22-5-7-24(8-6-22)17(25)27-13(2)3/h13H,4-12H2,1-3H3,(H,18,19,20,21).
What are the key properties of propan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate?
propan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate has a molecular weight of 379.47 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 110178687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).