2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine

C12H21N5O2 — CID 80851949

IUPAC2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(C)CCOCC2CC2)n1
InChIInChI=1S/C12H21N5O2/c1-3-19-12-15-10(13)14-11(16-12)17(2)6-7-18-8-9-4-5-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeySVDILTZNDQOKMD-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.72
Rot. Bonds8

About 2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine

2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80851949) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80851949
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(C)CCOCC2CC2)n1
InChIInChI=1S/C12H21N5O2/c1-3-19-12-15-10(13)14-11(16-12)17(2)6-7-18-8-9-4-5-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeySVDILTZNDQOKMD-UHFFFAOYSA-N
XLogP0.72
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80852394
6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776108
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80838404
6-ethoxy-2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80847735
2-N-(2-methoxyethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80795309
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80845232
6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80795329
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80834687
6-ethoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80848516
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 105420965
2-N-(1-cyclopropylethyl)-6-ethoxy-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80820940
5-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpyrimidin-2-amine
CID 113388560

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 80851949) is 2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(N(C)CCOCC2CC2)n1.
What is the InChIKey of 2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SVDILTZNDQOKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-19-12-15-10(13)14-11(16-12)17(2)6-7-18-8-9-4-5-9/h9H,3-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 267.33 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80851949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).