2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine

C19H23FIN5 — CID 138580125

IUPAC2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cc(I)ccc2F)n1)C1CC1
InChIInChI=1S/C19H23FIN5/c1-10(12-3-4-12)22-18-24-17(15-9-14(21)7-8-16(15)20)25-19(26-18)23-11(2)13-5-6-13/h7-13H,3-6H2,1-2H3,(H2,22,23,24,25,26)/t10-,11-/m1/s1
InChIKeyOLYYQNPTQPZGLY-GHMZBOCLSA-N
MW467.33 g/mol
LogP4.70
Rot. Bonds7

About 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine

2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 138580125) has the molecular formula C19H23FIN5 and a molecular weight of 467.33 g/mol. Its IUPAC name is 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID138580125
Molecular FormulaC19H23FIN5
Molecular Weight467.33 g/mol
Exact Mass467.10
IUPAC Name2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cc(I)ccc2F)n1)C1CC1
InChIInChI=1S/C19H23FIN5/c1-10(12-3-4-12)22-18-24-17(15-9-14(21)7-8-16(15)20)25-19(26-18)23-11(2)13-5-6-13/h7-13H,3-6H2,1-2H3,(H2,22,23,24,25,26)/t10-,11-/m1/s1
InChIKeyOLYYQNPTQPZGLY-GHMZBOCLSA-N
XLogP4.70
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine (CID 138580125) is 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine is C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cc(I)ccc2F)n1)C1CC1.
What is the InChIKey of 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OLYYQNPTQPZGLY-GHMZBOCLSA-N. The full InChI is InChI=1S/C19H23FIN5/c1-10(12-3-4-12)22-18-24-17(15-9-14(21)7-8-16(15)20)25-19(26-18)23-11(2)13-5-6-13/h7-13H,3-6H2,1-2H3,(H2,22,23,24,25,26)/t10-,11-/m1/s1.
What are the key properties of 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 467.33 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 138580125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).