5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide

C17H16N4O2 — CID 108733255

IUPAC5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc(C)o3)cc2)ncn1
InChIInChI=1S/C17H16N4O2/c1-11-9-16(19-10-18-11)20-13-4-6-14(7-5-13)21-17(22)15-8-3-12(2)23-15/h3-10H,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyUGKDUEBZMIYBGM-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.68
Rot. Bonds4

About 5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide

5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide (PubChem CID 108733255) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
PubChem CID108733255
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc(C)o3)cc2)ncn1
InChIInChI=1S/C17H16N4O2/c1-11-9-16(19-10-18-11)20-13-4-6-14(7-5-13)21-17(22)15-8-3-12(2)23-15/h3-10H,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyUGKDUEBZMIYBGM-UHFFFAOYSA-N
XLogP3.68
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
CID 108771216
5-methyl-N-pyridin-4-ylfuran-2-carboxamide
CID 897103
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide
CID 52555638
3-chloro-2,2-dimethyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108756580
5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 108756608
N-(6-bromo-3-pyridinyl)-5-methylfuran-2-carboxamide
CID 103789352
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279
N-[4-(1-hydroxyethyl)phenyl]-5-methylfuran-2-carboxamide
CID 43508359
2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid
CID 13054264
N-[4-(dimethylcarbamoyl)phenyl]-5-methylfuran-2-carboxamide
CID 17394257
2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]furan-3-carboxamide
CID 122316373

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide (CID 108733255) is 5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide is Cc1cc(Nc2ccc(NC(=O)c3ccc(C)o3)cc2)ncn1.
What is the InChIKey of 5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide?
The InChIKey is UGKDUEBZMIYBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-9-16(19-10-18-11)20-13-4-6-14(7-5-13)21-17(22)15-8-3-12(2)23-15/h3-10H,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of 5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide?
5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 108733255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).