2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide

C17H20N4O3 — CID 109262433

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C17H20N4O3/c1-3-21(4-2)16(22)12-10-18-17(19-11-12)20-13-5-6-14-15(9-13)24-8-7-23-14/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19,20)
InChIKeyPJJZTNCJTQUSSI-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.47
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide (PubChem CID 109262433) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide
PubChem CID109262433
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C17H20N4O3/c1-3-21(4-2)16(22)12-10-18-17(19-11-12)20-13-5-6-14-15(9-13)24-8-7-23-14/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19,20)
InChIKeyPJJZTNCJTQUSSI-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 109194689
2-(3,4-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262443
2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262459
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251823
2-(1,3-benzodioxol-5-ylamino)-N-butyl-N-methylpyrimidine-5-carboxamide
CID 109263949
N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109262395
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252474
2-(3,5-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262446
2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262455
2-(1,3-benzodioxol-5-ylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248596
N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109262419
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267405

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide (CID 109262433) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(Nc2ccc3c(c2)OCCO3)nc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide?
The InChIKey is PJJZTNCJTQUSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-3-21(4-2)16(22)12-10-18-17(19-11-12)20-13-5-6-14-15(9-13)24-8-7-23-14/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide is sourced from PubChem (CID 109262433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).