6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine

C21H33FN8O — CID 10274443

IUPAC6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN1CCCC1CNc1nc(NCCN(C)C)nc(Nc2ccc(OC)c(F)c2)n1
InChIInChI=1S/C21H33FN8O/c1-5-30-11-6-7-16(30)14-24-20-26-19(23-10-12-29(2)3)27-21(28-20)25-15-8-9-18(31-4)17(22)13-15/h8-9,13,16H,5-7,10-12,14H2,1-4H3,(H3,23,24,25,26,27,28)
InChIKeyVHTQZGMHRWFWRQ-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.63
Rot. Bonds11

About 6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine

6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 10274443) has the molecular formula C21H33FN8O and a molecular weight of 432.55 g/mol. Its IUPAC name is 6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID10274443
Molecular FormulaC21H33FN8O
Molecular Weight432.55 g/mol
Exact Mass432.28
IUPAC Name6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN1CCCC1CNc1nc(NCCN(C)C)nc(Nc2ccc(OC)c(F)c2)n1
InChIInChI=1S/C21H33FN8O/c1-5-30-11-6-7-16(30)14-24-20-26-19(23-10-12-29(2)3)27-21(28-20)25-15-8-9-18(31-4)17(22)13-15/h8-9,13,16H,5-7,10-12,14H2,1-4H3,(H3,23,24,25,26,27,28)
InChIKeyVHTQZGMHRWFWRQ-UHFFFAOYSA-N
XLogP2.63
TPSA90.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine (CID 10274443) is 6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine is CCN1CCCC1CNc1nc(NCCN(C)C)nc(Nc2ccc(OC)c(F)c2)n1.
What is the InChIKey of 6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VHTQZGMHRWFWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN8O/c1-5-30-11-6-7-16(30)14-24-20-26-19(23-10-12-29(2)3)27-21(28-20)25-15-8-9-18(31-4)17(22)13-15/h8-9,13,16H,5-7,10-12,14H2,1-4H3,(H3,23,24,25,26,27,28).
What are the key properties of 6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine?
6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 432.55 g/mol, XLogP of 2.63, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(dimethylamino)ethyl]-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 10274443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).