N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide

C18H17FN4O3 — CID 99697271

IUPACN-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCOc1ncnc(N(C)C)c1NC(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H17FN4O3/c1-23(2)16-15(18(25-3)21-10-20-16)22-17(24)14-9-8-13(26-14)11-6-4-5-7-12(11)19/h4-10H,1-3H3,(H,22,24)
InChIKeyWGMOBCWMZQPLCM-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.20
Rot. Bonds5

About N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide

N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 99697271) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID99697271
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC NameN-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCOc1ncnc(N(C)C)c1NC(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H17FN4O3/c1-23(2)16-15(18(25-3)21-10-20-16)22-17(24)14-9-8-13(26-14)11-6-4-5-7-12(11)19/h4-10H,1-3H3,(H,22,24)
InChIKeyWGMOBCWMZQPLCM-UHFFFAOYSA-N
XLogP3.20
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 1251716
N-(2-ethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 3462704
5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide
CID 78797464
N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 8011799
5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
CID 17472963
N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 3872686
N-(5-acetamido-2-methoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 17478266
5-(2-fluorophenyl)-N-quinolin-2-ylfuran-2-carboxamide
CID 47008040
N-[4-(difluoromethoxy)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 9427796
N-(4-chloro-2-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 9404808
5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide (CID 99697271) is N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide is COc1ncnc(N(C)C)c1NC(=O)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is WGMOBCWMZQPLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-23(2)16-15(18(25-3)21-10-20-16)22-17(24)14-9-8-13(26-14)11-6-4-5-7-12(11)19/h4-10H,1-3H3,(H,22,24).
What are the key properties of N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide?
N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 99697271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).