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

C14H26N6O — CID 80812961

IUPAC2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(N(C)CCN2CCCC2)n1
InChIInChI=1S/C14H26N6O/c1-4-11-21-14-17-12(15-2)16-13(18-14)19(3)9-10-20-7-5-6-8-20/h4-11H2,1-3H3,(H,15,16,17,18)
InChIKeyFJHNYHUKWKPCBD-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.23
Rot. Bonds8

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

2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80812961) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80812961
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(N(C)CCN2CCCC2)n1
InChIInChI=1S/C14H26N6O/c1-4-11-21-14-17-12(15-2)16-13(18-14)19(3)9-10-20-7-5-6-8-20/h4-11H2,1-3H3,(H,15,16,17,18)
InChIKeyFJHNYHUKWKPCBD-UHFFFAOYSA-N
XLogP1.23
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80845422
2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 112667737
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,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80793836
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80780610
2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80779456
4-hydrazinyl-N-methyl-6-propoxy-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 80924992
2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80795742
6-(2-cyclobutylethoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 106207650
2-N-(2-piperidin-1-ylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80804374
2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821462

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine (CID 80812961) is 2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(N(C)CCN2CCCC2)n1.
What is the InChIKey of 2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FJHNYHUKWKPCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-4-11-21-14-17-12(15-2)16-13(18-14)19(3)9-10-20-7-5-6-8-20/h4-11H2,1-3H3,(H,15,16,17,18).
What are the key properties of 2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 294.40 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80812961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).