2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine

C12H23N5O2 — CID 80837026

IUPAC2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NC(CC)COC)n1
InChIInChI=1S/C12H23N5O2/c1-5-7-19-12-16-10(13-3)15-11(17-12)14-9(6-2)8-18-4/h9H,5-8H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyYGDIYLXDXKQQKG-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.54
Rot. Bonds9

About 2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80837026) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80837026
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NC(CC)COC)n1
InChIInChI=1S/C12H23N5O2/c1-5-7-19-12-16-10(13-3)15-11(17-12)14-9(6-2)8-18-4/h9H,5-8H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyYGDIYLXDXKQQKG-UHFFFAOYSA-N
XLogP1.54
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-hexan-3-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80818293
2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 80843434
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80769885
2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80812604
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80783446
4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80837976
1-methoxy-3-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80811033
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-N-ethyl-2-N-(1-methoxy-3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827418
3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106289027
4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80767949

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80837026) is 2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(NC(CC)COC)n1.
What is the InChIKey of 2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is YGDIYLXDXKQQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-5-7-19-12-16-10(13-3)15-11(17-12)14-9(6-2)8-18-4/h9H,5-8H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 269.35 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80837026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).