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

C13H23N5O2 — CID 80852394

IUPAC2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N(C)CCOCC2CC2)n1
InChIInChI=1S/C13H23N5O2/c1-3-7-20-13-16-11(14)15-12(17-13)18(2)6-8-19-9-10-4-5-10/h10H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyVRYVHERIWOIZTB-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.11
Rot. Bonds9

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

2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80852394) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80852394
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N(C)CCOCC2CC2)n1
InChIInChI=1S/C13H23N5O2/c1-3-7-20-13-16-11(14)15-12(17-13)18(2)6-8-19-9-10-4-5-10/h10H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyVRYVHERIWOIZTB-UHFFFAOYSA-N
XLogP1.11
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.11
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]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80851949
2-N-(2-methoxyethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80795309
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80838404
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80844355
6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80763865
6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776108
2-N-methyl-2-N-(2-methylcyclohexyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80820928
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80835031
2-N-methyl-6-propoxy-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80849343
2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80775578
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 80796977
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80852394) is 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(N(C)CCOCC2CC2)n1.
What is the InChIKey of 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is VRYVHERIWOIZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-7-20-13-16-11(14)15-12(17-13)18(2)6-8-19-9-10-4-5-10/h10H,3-9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 281.36 g/mol, XLogP of 1.11, 9 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]-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80852394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).