4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine

C13H25N7 — CID 80767336

IUPAC4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(N(C)C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H25N7/c1-5-6-14-11-15-12(18(2)3)17-13(16-11)20-9-7-19(4)8-10-20/h5-10H2,1-4H3,(H,14,15,16,17)
InChIKeyOFILGDCRHPSBHP-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.51
Rot. Bonds5

About 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine

4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80767336) has the molecular formula C13H25N7 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80767336
Molecular FormulaC13H25N7
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC Name4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(N(C)C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H25N7/c1-5-6-14-11-15-12(18(2)3)17-13(16-11)20-9-7-19(4)8-10-20/h5-10H2,1-4H3,(H,14,15,16,17)
InChIKeyOFILGDCRHPSBHP-UHFFFAOYSA-N
XLogP0.51
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-(4-methoxypiperidin-1-yl)-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771750
4-N,4-N-dimethyl-6-(1,4-oxazepan-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80822984
4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80765758
4-N-methyl-6-morpholin-4-yl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80772544
1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80751565
4-N,4-N-dimethyl-6-(3-methylthiomorpholin-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80835693
4-N-ethyl-4-N-propan-2-yl-2-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772192
6-(3,3-dimethylmorpholin-4-yl)-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80779775
2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
CID 80805026
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 117089217
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 80767336) is 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(N(C)C)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OFILGDCRHPSBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N7/c1-5-6-14-11-15-12(18(2)3)17-13(16-11)20-9-7-19(4)8-10-20/h5-10H2,1-4H3,(H,14,15,16,17).
What are the key properties of 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80767336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).