4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine

C24H24FN5O2 — CID 69094310

IUPAC4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine
SMILESCCOc1ccc(-c2nc(Nc3cnn(Cc4ccc(OC)cc4)c3)ncc2C)cc1F
InChIInChI=1S/C24H24FN5O2/c1-4-32-22-10-7-18(11-21(22)25)23-16(2)12-26-24(29-23)28-19-13-27-30(15-19)14-17-5-8-20(31-3)9-6-17/h5-13,15H,4,14H2,1-3H3,(H,26,28,29)
InChIKeyHKLNMGTVSGLGPN-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.99
Rot. Bonds8

About 4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine

4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine (PubChem CID 69094310) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine
PubChem CID69094310
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine
SMILESCCOc1ccc(-c2nc(Nc3cnn(Cc4ccc(OC)cc4)c3)ncc2C)cc1F
InChIInChI=1S/C24H24FN5O2/c1-4-32-22-10-7-18(11-21(22)25)23-16(2)12-26-24(29-23)28-19-13-27-30(15-19)14-17-5-8-20(31-3)9-6-17/h5-13,15H,4,14H2,1-3H3,(H,26,28,29)
InChIKeyHKLNMGTVSGLGPN-UHFFFAOYSA-N
XLogP4.99
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine (CID 69094310) is 4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine is CCOc1ccc(-c2nc(Nc3cnn(Cc4ccc(OC)cc4)c3)ncc2C)cc1F.
What is the InChIKey of 4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine?
The InChIKey is HKLNMGTVSGLGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-4-32-22-10-7-18(11-21(22)25)23-16(2)12-26-24(29-23)28-19-13-27-30(15-19)14-17-5-8-20(31-3)9-6-17/h5-13,15H,4,14H2,1-3H3,(H,26,28,29).
What are the key properties of 4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine?
4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine has a molecular weight of 433.49 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 69094310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).