2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine

C15H21N5O — CID 80795742

IUPAC2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(N(C)c2ccccc2C)n1
InChIInChI=1S/C15H21N5O/c1-5-10-21-15-18-13(16-3)17-14(19-15)20(4)12-9-7-6-8-11(12)2/h6-9H,5,10H2,1-4H3,(H,16,17,18,19)
InChIKeyCYGPOBMQMFPKRN-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.78
Rot. Bonds6

About 2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine

2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80795742) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80795742
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(N(C)c2ccccc2C)n1
InChIInChI=1S/C15H21N5O/c1-5-10-21-15-18-13(16-3)17-14(19-15)20(4)12-9-7-6-8-11(12)2/h6-9H,5,10H2,1-4H3,(H,16,17,18,19)
InChIKeyCYGPOBMQMFPKRN-UHFFFAOYSA-N
XLogP2.78
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80795943
2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80793836
2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80779456
2-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80845422
4-(2-methoxyphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80867540
2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 112667737
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887454
2-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80779284
1-methoxy-3-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80811033
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80780610
4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80772443

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80795742) is 2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(N(C)c2ccccc2C)n1.
What is the InChIKey of 2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is CYGPOBMQMFPKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-5-10-21-15-18-13(16-3)17-14(19-15)20(4)12-9-7-6-8-11(12)2/h6-9H,5,10H2,1-4H3,(H,16,17,18,19).
What are the key properties of 2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80795742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).