4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide

C16H15N5O2 — CID 44520933

IUPAC4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2nc(N)nc(-c3ccco3)n2)c1
InChIInChI=1S/C16H15N5O2/c1-10-4-2-5-11(8-10)9-18-15(22)14-19-13(20-16(17)21-14)12-6-3-7-23-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21)
InChIKeyMBBZWYJSVSKEGK-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.95
Rot. Bonds4

About 4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide

4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide (PubChem CID 44520933) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide
PubChem CID44520933
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2nc(N)nc(-c3ccco3)n2)c1
InChIInChI=1S/C16H15N5O2/c1-10-4-2-5-11(8-10)9-18-15(22)14-19-13(20-16(17)21-14)12-6-3-7-23-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21)
InChIKeyMBBZWYJSVSKEGK-UHFFFAOYSA-N
XLogP1.95
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide
CID 44520939
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
2-(furan-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110690605
(3-methylphenyl)methylurea
CID 60776531
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109303249
4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 82793892
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
N-[(3-methylphenyl)methyl]isoquinoline-1-carboxamide
CID 110850819
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide (CID 44520933) is 4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide is Cc1cccc(CNC(=O)c2nc(N)nc(-c3ccco3)n2)c1.
What is the InChIKey of 4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide?
The InChIKey is MBBZWYJSVSKEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10-4-2-5-11(8-10)9-18-15(22)14-19-13(20-16(17)21-14)12-6-3-7-23-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21).
What are the key properties of 4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide?
4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 44520933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).