N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide

C14H13N3O3 — CID 110863326

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H13N3O3/c1-9-11(7-15-8-16-9)14(18)17-10-2-3-12-13(6-10)20-5-4-19-12/h2-3,6-8H,4-5H2,1H3,(H,17,18)
InChIKeySLXQUPNKUDRTGA-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.81
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide (PubChem CID 110863326) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide
PubChem CID110863326
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H13N3O3/c1-9-11(7-15-8-16-9)14(18)17-10-2-3-12-13(6-10)20-5-4-19-12/h2-3,6-8H,4-5H2,1H3,(H,17,18)
InChIKeySLXQUPNKUDRTGA-UHFFFAOYSA-N
XLogP1.81
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110863958
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504338
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702324
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351
N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 46345478
N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide
CID 100752853
N-(1,3-benzodioxol-5-yl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913568
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 75396049
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53010752
1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-4-carboxamide
CID 75514431
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide (CID 110863326) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide is Cc1ncncc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is SLXQUPNKUDRTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-11(7-15-8-16-9)14(18)17-10-2-3-12-13(6-10)20-5-4-19-12/h2-3,6-8H,4-5H2,1H3,(H,17,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110863326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).