2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C19H20F4N6O2 — CID 71577484

IUPAC2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(F)c(-n3nc(C)cc3COC)cc2OC)ncc1C(F)(F)F
InChIInChI=1S/C19H20F4N6O2/c1-10-5-11(9-30-3)29(28-10)15-7-16(31-4)14(6-13(15)20)26-18-25-8-12(19(21,22)23)17(24-2)27-18/h5-8H,9H2,1-4H3,(H2,24,25,26,27)
InChIKeyUMORLYKEQNRTQM-UHFFFAOYSA-N
MW440.40 g/mol
LogP4.07
Rot. Bonds7

About 2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 71577484) has the molecular formula C19H20F4N6O2 and a molecular weight of 440.40 g/mol. Its IUPAC name is 2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID71577484
Molecular FormulaC19H20F4N6O2
Molecular Weight440.40 g/mol
Exact Mass440.16
IUPAC Name2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc(F)c(-n3nc(C)cc3COC)cc2OC)ncc1C(F)(F)F
InChIInChI=1S/C19H20F4N6O2/c1-10-5-11(9-30-3)29(28-10)15-7-16(31-4)14(6-13(15)20)26-18-25-8-12(19(21,22)23)17(24-2)27-18/h5-8H,9H2,1-4H3,(H2,24,25,26,27)
InChIKeyUMORLYKEQNRTQM-UHFFFAOYSA-N
XLogP4.07
TPSA86.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 71577484) is 2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cc(F)c(-n3nc(C)cc3COC)cc2OC)ncc1C(F)(F)F.
What is the InChIKey of 2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is UMORLYKEQNRTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N6O2/c1-10-5-11(9-30-3)29(28-10)15-7-16(31-4)14(6-13(15)20)26-18-25-8-12(19(21,22)23)17(24-2)27-18/h5-8H,9H2,1-4H3,(H2,24,25,26,27).
What are the key properties of 2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 440.40 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-fluoro-2-methoxy-4-[5-(methoxymethyl)-3-methylpyrazol-1-yl]phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71577484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).