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

C19H25F4N7O — CID 10275212

IUPAC6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN1CCCC1CNc1nc(NCC(F)(F)F)nc(Nc2ccc(OC)c(F)c2)n1
InChIInChI=1S/C19H25F4N7O/c1-3-30-8-4-5-13(30)10-24-16-27-17(25-11-19(21,22)23)29-18(28-16)26-12-6-7-15(31-2)14(20)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H3,24,25,26,27,28,29)
InChIKeyXCZHXJKHWMQOJE-UHFFFAOYSA-N
MW443.45 g/mol
LogP3.63
Rot. Bonds9

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

6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 10275212) has the molecular formula C19H25F4N7O and a molecular weight of 443.45 g/mol. Its IUPAC name is 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID10275212
Molecular FormulaC19H25F4N7O
Molecular Weight443.45 g/mol
Exact Mass443.21
IUPAC Name6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN1CCCC1CNc1nc(NCC(F)(F)F)nc(Nc2ccc(OC)c(F)c2)n1
InChIInChI=1S/C19H25F4N7O/c1-3-30-8-4-5-13(30)10-24-16-27-17(25-11-19(21,22)23)29-18(28-16)26-12-6-7-15(31-2)14(20)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H3,24,25,26,27,28,29)
InChIKeyXCZHXJKHWMQOJE-UHFFFAOYSA-N
XLogP3.63
TPSA87.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(2,2,2-trifluoroethyl)-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-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine (CID 10275212) is 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine is CCN1CCCC1CNc1nc(NCC(F)(F)F)nc(Nc2ccc(OC)c(F)c2)n1.
What is the InChIKey of 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XCZHXJKHWMQOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F4N7O/c1-3-30-8-4-5-13(30)10-24-16-27-17(25-11-19(21,22)23)29-18(28-16)26-12-6-7-15(31-2)14(20)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H3,24,25,26,27,28,29).
What are the key properties of 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 443.45 g/mol, XLogP of 3.63, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 10275212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).