3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide

C19H20N4O2 — CID 84594611

IUPAC3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCc1cnc(NCc2cccc(C(=O)NCc3ccco3)c2)nc1C
InChIInChI=1S/C19H20N4O2/c1-13-10-21-19(23-14(13)2)22-11-15-5-3-6-16(9-15)18(24)20-12-17-7-4-8-25-17/h3-10H,11-12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyKVVLNOXVPYQHJY-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.23
Rot. Bonds6

About 3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide

3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 84594611) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID84594611
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCc1cnc(NCc2cccc(C(=O)NCc3ccco3)c2)nc1C
InChIInChI=1S/C19H20N4O2/c1-13-10-21-19(23-14(13)2)22-11-15-5-3-6-16(9-15)18(24)20-12-17-7-4-8-25-17/h3-10H,11-12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyKVVLNOXVPYQHJY-UHFFFAOYSA-N
XLogP3.23
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
CID 133319105
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 55877532
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 133319102
N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 47061692
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959722
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-methyl-3-[[[5-methyl-2-[[3-(methylcarbamoyl)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]benzamide
CID 133349118
2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109303249

Frequently Asked Questions

What is the IUPAC name of 3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 84594611) is 3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide is Cc1cnc(NCc2cccc(C(=O)NCc3ccco3)c2)nc1C.
What is the InChIKey of 3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is KVVLNOXVPYQHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-10-21-19(23-14(13)2)22-11-15-5-3-6-16(9-15)18(24)20-12-17-7-4-8-25-17/h3-10H,11-12H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of 3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide?
3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 336.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 84594611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).