2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide

C17H20N4O3 — CID 109310790

IUPAC2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nccc(C(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C17H20N4O3/c1-3-21(4-2)17-18-8-7-13(20-17)16(22)19-12-5-6-14-15(11-12)24-10-9-23-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyWYPLDFWVGJBFSI-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.35
Rot. Bonds5

About 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide

2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide (PubChem CID 109310790) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
PubChem CID109310790
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nccc(C(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C17H20N4O3/c1-3-21(4-2)17-18-8-7-13(20-17)16(22)19-12-5-6-14-15(11-12)24-10-9-23-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyWYPLDFWVGJBFSI-UHFFFAOYSA-N
XLogP2.35
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299759
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307572
2-(4-chloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109316960
2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109310729
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306424
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289086
4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide
CID 109217891
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091385
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360146
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302803
N-(1,3-benzodioxol-5-yl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109311667

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide (CID 109310790) is 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide is CCN(CC)c1nccc(C(=O)Nc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide?
The InChIKey is WYPLDFWVGJBFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-3-21(4-2)17-18-8-7-13(20-17)16(22)19-12-5-6-14-15(11-12)24-10-9-23-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,22).
What are the key properties of 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide?
2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109310790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).