1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea

C26H20FN7O — CID 154971356

IUPAC1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea
SMILESCc1ncnc2ccc(-c3cnc(NC(=O)NCc4ccccn4)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C26H20FN7O/c1-16-21-12-18(7-10-23(21)32-15-31-16)22-14-29-25(33-24(22)17-5-8-19(27)9-6-17)34-26(35)30-13-20-4-2-3-11-28-20/h2-12,14-15H,13H2,1H3,(H2,29,30,33,34,35)
InChIKeyYXBQTLBHLVZGSR-UHFFFAOYSA-N
MW465.49 g/mol
LogP4.92
Rot. Bonds5

About 1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea

1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 154971356) has the molecular formula C26H20FN7O and a molecular weight of 465.49 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea
PubChem CID154971356
Molecular FormulaC26H20FN7O
Molecular Weight465.49 g/mol
Exact Mass465.17
IUPAC Name1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea
SMILESCc1ncnc2ccc(-c3cnc(NC(=O)NCc4ccccn4)nc3-c3ccc(F)cc3)cc12
InChIInChI=1S/C26H20FN7O/c1-16-21-12-18(7-10-23(21)32-15-31-16)22-14-29-25(33-24(22)17-5-8-19(27)9-6-17)34-26(35)30-13-20-4-2-3-11-28-20/h2-12,14-15H,13H2,1H3,(H2,29,30,33,34,35)
InChIKeyYXBQTLBHLVZGSR-UHFFFAOYSA-N
XLogP4.92
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947514
6-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 171132589
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
4-(1-benzylpyrazol-4-yl)-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 92575023
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea
CID 24664385
1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea
CID 35024520
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 119035185
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 29435720
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947513
N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947490

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea (CID 154971356) is 1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea is Cc1ncnc2ccc(-c3cnc(NC(=O)NCc4ccccn4)nc3-c3ccc(F)cc3)cc12.
What is the InChIKey of 1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is YXBQTLBHLVZGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O/c1-16-21-12-18(7-10-23(21)32-15-31-16)22-14-29-25(33-24(22)17-5-8-19(27)9-6-17)34-26(35)30-13-20-4-2-3-11-28-20/h2-12,14-15H,13H2,1H3,(H2,29,30,33,34,35).
What are the key properties of 1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea?
1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 465.49 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 154971356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).