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

C12H23N5O — CID 80767949

IUPAC4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NC(C)(C)CC)n1
InChIInChI=1S/C12H23N5O/c1-6-8-18-11-15-9(13-5)14-10(16-11)17-12(3,4)7-2/h6-8H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyRZPAWMNLJHKOBR-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.30
Rot. Bonds7

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

4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80767949) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80767949
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NC(C)(C)CC)n1
InChIInChI=1S/C12H23N5O/c1-6-8-18-11-15-9(13-5)14-10(16-11)17-12(3,4)7-2/h6-8H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyRZPAWMNLJHKOBR-UHFFFAOYSA-N
XLogP2.30
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80819069
N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861625
2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80815568
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80812604
4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 106669255
6-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855305
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80787478
N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80871130
4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80772443
2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 80843434

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80767949) is 4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(NC(C)(C)CC)n1.
What is the InChIKey of 4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is RZPAWMNLJHKOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-6-8-18-11-15-9(13-5)14-10(16-11)17-12(3,4)7-2/h6-8H2,1-5H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80767949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).