6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine

C19H33N9 — CID 117083842

IUPAC6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NCCN(C(C)C)C(C)C)nc(Nc2ccncn2)n1
InChIInChI=1S/C19H33N9/c1-7-27(8-2)19-25-17(21-11-12-28(14(3)4)15(5)6)24-18(26-19)23-16-9-10-20-13-22-16/h9-10,13-15H,7-8,11-12H2,1-6H3,(H2,20,21,22,23,24,25,26)
InChIKeySLCDHZZJWMONRB-UHFFFAOYSA-N
MW387.54 g/mol
LogP2.78
Rot. Bonds11

About 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine

6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 117083842) has the molecular formula C19H33N9 and a molecular weight of 387.54 g/mol. Its IUPAC name is 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID117083842
Molecular FormulaC19H33N9
Molecular Weight387.54 g/mol
Exact Mass387.29
IUPAC Name6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NCCN(C(C)C)C(C)C)nc(Nc2ccncn2)n1
InChIInChI=1S/C19H33N9/c1-7-27(8-2)19-25-17(21-11-12-28(14(3)4)15(5)6)24-18(26-19)23-16-9-10-20-13-22-16/h9-10,13-15H,7-8,11-12H2,1-6H3,(H2,20,21,22,23,24,25,26)
InChIKeySLCDHZZJWMONRB-UHFFFAOYSA-N
XLogP2.78
TPSA94.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.54
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine
CID 117084981
6-N-[2-[di(propan-2-yl)amino]ethyl]-9-propan-2-yl-2-N-pyrimidin-4-ylpurine-2,6-diamine
CID 117079677
6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-(1-methylbenzimidazol-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 117081850
2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 117089791
2-N,2-N,6-N-triethyl-4-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80785774
2-N,2-N-diethyl-6-N-methyl-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80773355
2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 117087560
2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80833360
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 60726247
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 117088419
2-N,2-N,6-N-triethyl-4-N-methyl-4-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 80764116
2-N-[2-[di(propan-2-yl)amino]ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80770603

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine (CID 117083842) is 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(NCCN(C(C)C)C(C)C)nc(Nc2ccncn2)n1.
What is the InChIKey of 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SLCDHZZJWMONRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N9/c1-7-27(8-2)19-25-17(21-11-12-28(14(3)4)15(5)6)24-18(26-19)23-16-9-10-20-13-22-16/h9-10,13-15H,7-8,11-12H2,1-6H3,(H2,20,21,22,23,24,25,26).
What are the key properties of 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 387.54 g/mol, XLogP of 2.78, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[di(propan-2-yl)amino]ethyl]-2-N,2-N-diethyl-4-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 117083842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).