N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide

C17H22N4O3 — CID 65389157

IUPACN-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide
SMILESCCN(CC)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ncn1
InChIInChI=1S/C17H22N4O3/c1-5-21(6-2)16-10-15(18-11-19-16)20-17(22)12-7-13(23-3)9-14(8-12)24-4/h7-11H,5-6H2,1-4H3,(H,18,19,20,22)
InChIKeyCKONDLXDYPBRCQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.59
Rot. Bonds7

About N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide

N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide (PubChem CID 65389157) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide
PubChem CID65389157
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide
SMILESCCN(CC)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ncn1
InChIInChI=1S/C17H22N4O3/c1-5-21(6-2)16-10-15(18-11-19-16)20-17(22)12-7-13(23-3)9-14(8-12)24-4/h7-11H,5-6H2,1-4H3,(H,18,19,20,22)
InChIKeyCKONDLXDYPBRCQ-UHFFFAOYSA-N
XLogP2.59
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide 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-[5-(diethylamino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113029690
N-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethoxy-4-methylbenzamide
CID 146130723
4-N,4-N-diethyl-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 112863500
N-[6-(dipropylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113045149
4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80767008
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113012586
ethyl 4-[[6-(diethylamino)pyrimidin-4-yl]amino]benzoate
CID 112863541
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80809279
N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113038583
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide
CID 7406846
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-methoxybenzamide
CID 122296586

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide (CID 65389157) is N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide is CCN(CC)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ncn1.
What is the InChIKey of N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide?
The InChIKey is CKONDLXDYPBRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-5-21(6-2)16-10-15(18-11-19-16)20-17(22)12-7-13(23-3)9-14(8-12)24-4/h7-11H,5-6H2,1-4H3,(H,18,19,20,22).
What are the key properties of N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide?
N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide has a molecular weight of 330.39 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 65389157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).