2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine

C20H18FN5O — CID 66631969

IUPAC2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine
SMILESCOc1ccc(C2=CN=C(Cc3ccccc3F)N(c3ccn[nH]3)C2)cn1
InChIInChI=1S/C20H18FN5O/c1-27-20-7-6-15(11-23-20)16-12-22-19(10-14-4-2-3-5-17(14)21)26(13-16)18-8-9-24-25-18/h2-9,11-12H,10,13H2,1H3,(H,24,25)
InChIKeyRWWZPDOUGDDBQL-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.45
Rot. Bonds5

About 2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine

2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine (PubChem CID 66631969) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine
PubChem CID66631969
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine
SMILESCOc1ccc(C2=CN=C(Cc3ccccc3F)N(c3ccn[nH]3)C2)cn1
InChIInChI=1S/C20H18FN5O/c1-27-20-7-6-15(11-23-20)16-12-22-19(10-14-4-2-3-5-17(14)21)26(13-16)18-8-9-24-25-18/h2-9,11-12H,10,13H2,1H3,(H,24,25)
InChIKeyRWWZPDOUGDDBQL-UHFFFAOYSA-N
XLogP3.45
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine (CID 66631969) is 2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine is COc1ccc(C2=CN=C(Cc3ccccc3F)N(c3ccn[nH]3)C2)cn1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine?
The InChIKey is RWWZPDOUGDDBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-27-20-7-6-15(11-23-20)16-12-22-19(10-14-4-2-3-5-17(14)21)26(13-16)18-8-9-24-25-18/h2-9,11-12H,10,13H2,1H3,(H,24,25).
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine?
2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine has a molecular weight of 363.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-(6-methoxy-3-pyridinyl)-3-(1H-pyrazol-5-yl)-4H-pyrimidine is sourced from PubChem (CID 66631969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).