1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea

C18H16FN5O2 — CID 175962958

IUPAC1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea
SMILESCOc1ncc(-c2ccc(NC(=O)NCc3ccccc3F)nc2)cn1
InChIInChI=1S/C18H16FN5O2/c1-26-18-22-10-14(11-23-18)12-6-7-16(20-8-12)24-17(25)21-9-13-4-2-3-5-15(13)19/h2-8,10-11H,9H2,1H3,(H2,20,21,24,25)
InChIKeyXXGHITNIZMZJBX-UHFFFAOYSA-N
MW353.36 g/mol
LogP3.01
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea

1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea (PubChem CID 175962958) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea
PubChem CID175962958
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea
SMILESCOc1ncc(-c2ccc(NC(=O)NCc3ccccc3F)nc2)cn1
InChIInChI=1S/C18H16FN5O2/c1-26-18-22-10-14(11-23-18)12-6-7-16(20-8-12)24-17(25)21-9-13-4-2-3-5-15(13)19/h2-8,10-11H,9H2,1H3,(H2,20,21,24,25)
InChIKeyXXGHITNIZMZJBX-UHFFFAOYSA-N
XLogP3.01
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-methoxybenzamide
CID 113026998
1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea
CID 34699932
1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900165
6-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156428
1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea
CID 86788660
1-[(2-fluorophenyl)methyl]-3-[6-(4-fluorophenyl)-2-pyridinyl]urea
CID 11566276
1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900168
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113027011
tert-butyl N-[4-[(2-fluorophenyl)methylcarbamoyl-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]amino]cyclohexyl]carbamate
CID 153347644
1-(2-chloro-3-pyridinyl)-3-[(2-fluorophenyl)methyl]urea
CID 47400847
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281291

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea (CID 175962958) is 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea is COc1ncc(-c2ccc(NC(=O)NCc3ccccc3F)nc2)cn1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea?
The InChIKey is XXGHITNIZMZJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-26-18-22-10-14(11-23-18)12-6-7-16(20-8-12)24-17(25)21-9-13-4-2-3-5-15(13)19/h2-8,10-11H,9H2,1H3,(H2,20,21,24,25).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea?
1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea has a molecular weight of 353.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea is sourced from PubChem (CID 175962958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).