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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Related Compounds

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)pyrimidin-4-amine
CID 53324544
4-(4-Fluorophenyl)-1-(4-methoxyphenyl)-3-pyridin-4-ylpyrazol-5-amine
CID 56950883
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-[5-(1H-pyrazol-4-yl)-2-pyridinyl]urea
CID 68519792
2-fluoro-6-[3-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine
CID 4271463
N-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(3-methylpyridin-2-yl)ethanamine
CID 16192331
6-(2-methoxyphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
CID 3235003
2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine
CID 10566755
N-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyl-1-pyrimidin-4-ylethanamine
CID 16191362
1-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 16192162
N-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-(pyridin-4-ylmethyl)ethanamine
CID 16192492
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridin-2-amine
CID 9642879
3-[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine
CID 20285802

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).