N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide

C18H17FN4O2 — CID 109367930

IUPACN-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccco2)cc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C18H17FN4O2/c1-12-22-16(9-17(23-12)20-11-15-3-2-8-25-15)18(24)21-10-13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyJAAQYVGSWPNWAX-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.06
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109367930) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109367930
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccco2)cc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C18H17FN4O2/c1-12-22-16(9-17(23-12)20-11-15-3-2-8-25-15)18(24)21-10-13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyJAAQYVGSWPNWAX-UHFFFAOYSA-N
XLogP3.06
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367956
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367935
N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109361756
N-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279474
N-(2-fluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368005
6-(tert-butylamino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369870
6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112853891
N-(3,4-difluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368072
N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367979
6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368156
6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109367982
6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368142

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide (CID 109367930) is N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide is Cc1nc(NCc2ccco2)cc(C(=O)NCc2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is JAAQYVGSWPNWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-12-22-16(9-17(23-12)20-11-15-3-2-8-25-15)18(24)21-10-13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109367930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).