2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate

C10H18N6O3 — CID 83215694

IUPAC2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
SMILESCCCNc1nc(NCCOC(N)=O)nc(OC)n1
InChIInChI=1S/C10H18N6O3/c1-3-4-12-8-14-9(16-10(15-8)18-2)13-5-6-19-7(11)17/h3-6H2,1-2H3,(H2,11,17)(H2,12,13,14,15,16)
InChIKeyAUWLVUUGOKPMKE-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.21
Rot. Bonds8

About 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate

2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate (PubChem CID 83215694) has the molecular formula C10H18N6O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
PubChem CID83215694
Molecular FormulaC10H18N6O3
Molecular Weight270.29 g/mol
Exact Mass270.14
IUPAC Name2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
SMILESCCCNc1nc(NCCOC(N)=O)nc(OC)n1
InChIInChI=1S/C10H18N6O3/c1-3-4-12-8-14-9(16-10(15-8)18-2)13-5-6-19-7(11)17/h3-6H2,1-2H3,(H2,11,17)(H2,12,13,14,15,16)
InChIKeyAUWLVUUGOKPMKE-UHFFFAOYSA-N
XLogP0.21
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827068
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80784036
N-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80788626
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83204945
2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate
CID 83214804
3-methoxy-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 106198781
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780126
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80787956
2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868657
2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate
CID 83215295
methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80775157

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate?
The IUPAC name of 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate (CID 83215694) is 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate?
The canonical SMILES for 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate is CCCNc1nc(NCCOC(N)=O)nc(OC)n1.
What is the InChIKey of 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate?
The InChIKey is AUWLVUUGOKPMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3/c1-3-4-12-8-14-9(16-10(15-8)18-2)13-5-6-19-7(11)17/h3-6H2,1-2H3,(H2,11,17)(H2,12,13,14,15,16).
What are the key properties of 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate?
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate has a molecular weight of 270.29 g/mol, XLogP of 0.21, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate is sourced from PubChem (CID 83215694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).