1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea

C17H14FN5O2 — CID 59508979

IUPAC1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)Nc2cccnc2)ncn1
InChIInChI=1S/C17H14FN5O2/c1-25-15-5-4-11(18)7-13(15)14-8-16(21-10-20-14)23-17(24)22-12-3-2-6-19-9-12/h2-10H,1H3,(H2,20,21,22,23,24)
InChIKeyAJKAUSWPBPVYHT-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.33
Rot. Bonds4

About 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea

1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea (PubChem CID 59508979) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea
PubChem CID59508979
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)Nc2cccnc2)ncn1
InChIInChI=1S/C17H14FN5O2/c1-25-15-5-4-11(18)7-13(15)14-8-16(21-10-20-14)23-17(24)22-12-3-2-6-19-9-12/h2-10H,1H3,(H2,20,21,22,23,24)
InChIKeyAJKAUSWPBPVYHT-UHFFFAOYSA-N
XLogP3.33
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509147
N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509065
5-fluoro-2-methoxy-N-pyridin-3-ylbenzamide
CID 34947016
1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide
CID 59509071
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
CID 59509149
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 59509139
cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 59509076
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 59509088
N-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 82537505
1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126026
4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 141365926
2-[4-[(E)-[5-fluoro-2-methyl-3-(pyridin-3-ylcarbamoylamino)inden-1-ylidene]methyl]-2,6-dimethoxyanilino]acetic acid
CID 162488197

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea (CID 59508979) is 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea is COc1ccc(F)cc1-c1cc(NC(=O)Nc2cccnc2)ncn1.
What is the InChIKey of 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea?
The InChIKey is AJKAUSWPBPVYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-25-15-5-4-11(18)7-13(15)14-8-16(21-10-20-14)23-17(24)22-12-3-2-6-19-9-12/h2-10H,1H3,(H2,20,21,22,23,24).
What are the key properties of 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea?
1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea has a molecular weight of 339.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea is sourced from PubChem (CID 59508979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).