2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide

C17H20N4O3 — CID 109332418

IUPAC2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C17H20N4O3/c1-4-21(5-2)16(22)13-8-11(3)18-17(20-13)19-12-6-7-14-15(9-12)24-10-23-14/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyOOJFFNGLKQIIEV-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.74
Rot. Bonds5

About 2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide

2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109332418) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
PubChem CID109332418
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C17H20N4O3/c1-4-21(5-2)16(22)13-8-11(3)18-17(20-13)19-12-6-7-14-15(9-12)24-10-23-14/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyOOJFFNGLKQIIEV-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-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

2-(1,3-benzodioxol-5-ylamino)-6-methyl-N-pentylpyrimidine-4-carboxamide
CID 109333500
2-(3,4-dichloroanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109332429
N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332354
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319223
2-(1,3-benzodioxol-5-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336071
2-(1,3-benzodioxol-5-ylamino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330787
N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylpyrimidine-4-carboxamide
CID 109320769
N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109332408
2-(1,3-benzodioxol-5-ylamino)-N-(4-chloro-2-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337292
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320388
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109329461
6-(1,3-benzodioxol-5-ylamino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 112847620

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide (CID 109332418) is 2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(C)nc(Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is OOJFFNGLKQIIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-4-21(5-2)16(22)13-8-11(3)18-17(20-13)19-12-6-7-14-15(9-12)24-10-23-14/h6-9H,4-5,10H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide?
2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylamino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).