N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide

C17H21N5O2 — CID 109353335

IUPACN-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2cccc(NC(C)=O)c2)ncn1
InChIInChI=1S/C17H21N5O2/c1-4-22(5-2)16-10-15(18-11-19-16)17(24)21-14-8-6-7-13(9-14)20-12(3)23/h6-11H,4-5H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyDUDVIKVQTMCONR-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.53
Rot. Bonds6

About N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide

N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide (PubChem CID 109353335) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
PubChem CID109353335
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2cccc(NC(C)=O)c2)ncn1
InChIInChI=1S/C17H21N5O2/c1-4-22(5-2)16-10-15(18-11-19-16)17(24)21-14-8-6-7-13(9-14)20-12(3)23/h6-11H,4-5H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyDUDVIKVQTMCONR-UHFFFAOYSA-N
XLogP2.53
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353333
N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353354
6-(diethylamino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109353352
6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109353293
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109349422
6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109349416
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353355
N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112924147
N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide
CID 109286897
6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347663
6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353458

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide (CID 109353335) is N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide is CCN(CC)c1cc(C(=O)Nc2cccc(NC(C)=O)c2)ncn1.
What is the InChIKey of N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The InChIKey is DUDVIKVQTMCONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-4-22(5-2)16-10-15(18-11-19-16)17(24)21-14-8-6-7-13(9-14)20-12(3)23/h6-11H,4-5H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).