N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide

C17H19N3O3 — CID 131932776

IUPACN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCOc1cccc2c1OCC(NC(=O)c1cc(C)nc(C)n1)C2
InChIInChI=1S/C17H19N3O3/c1-10-7-14(19-11(2)18-10)17(21)20-13-8-12-5-4-6-15(22-3)16(12)23-9-13/h4-7,13H,8-9H2,1-3H3,(H,20,21)
InChIKeyLCUMPTOUVXYBCW-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.84
Rot. Bonds3

About N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 131932776) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID131932776
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCOc1cccc2c1OCC(NC(=O)c1cc(C)nc(C)n1)C2
InChIInChI=1S/C17H19N3O3/c1-10-7-14(19-11(2)18-10)17(21)20-13-8-12-5-4-6-15(22-3)16(12)23-9-13/h4-7,13H,8-9H2,1-3H3,(H,20,21)
InChIKeyLCUMPTOUVXYBCW-UHFFFAOYSA-N
XLogP1.84
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
CID 56720229
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 131944175
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137222532
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396887
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396888
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide
CID 166412042
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 99929986
2-cyclopropyl-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-pyrrole-3-carboxamide
CID 126812603
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 131927717
2-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-pyrazol-1-ylbenzamide
CID 131924324
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]thiomorpholine-4-carboxamide
CID 95977711
1-(1,3-dimethylpyrazol-4-yl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 126776076

Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide (CID 131932776) is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide is COc1cccc2c1OCC(NC(=O)c1cc(C)nc(C)n1)C2.
What is the InChIKey of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is LCUMPTOUVXYBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10-7-14(19-11(2)18-10)17(21)20-13-8-12-5-4-6-15(22-3)16(12)23-9-13/h4-7,13H,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide?
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 131932776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).