2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C11H19N5O — CID 80797891

IUPAC2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(N(C)CC2CC2)n1
InChIInChI=1S/C11H19N5O/c1-4-17-11-14-9(12-2)13-10(15-11)16(3)7-8-5-6-8/h8H,4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyMEDMNQBJFQBFHS-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.16
Rot. Bonds6

About 2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80797891) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80797891
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(N(C)CC2CC2)n1
InChIInChI=1S/C11H19N5O/c1-4-17-11-14-9(12-2)13-10(15-11)16(3)7-8-5-6-8/h8H,4-7H2,1-3H3,(H,12,13,14,15)
InChIKeyMEDMNQBJFQBFHS-UHFFFAOYSA-N
XLogP1.16
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(cyclohexylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80800038
2-N-cyclohexyl-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80761478
N-cyclopropyl-2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 80820491
4-(cyclopropylmethoxy)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80867578
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
CID 102640102
6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80782695
3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol
CID 80856564
2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821462
4-N-(cyclopentylmethyl)-2-N,2-N-diethyl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816084
6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849779
N-cyclopropyl-N-(cyclopropylmethyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80918086
2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80820904

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80797891) is 2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(N(C)CC2CC2)n1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MEDMNQBJFQBFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-4-17-11-14-9(12-2)13-10(15-11)16(3)7-8-5-6-8/h8H,4-7H2,1-3H3,(H,12,13,14,15).
What are the key properties of 2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 237.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80797891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).