N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide

C17H23N5O — CID 109252763

IUPACN-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide
SMILESCCN(c1ccccc1)c1ncc(C(=O)NCCN(C)C)cn1
InChIInChI=1S/C17H23N5O/c1-4-22(15-8-6-5-7-9-15)17-19-12-14(13-20-17)16(23)18-10-11-21(2)3/h5-9,12-13H,4,10-11H2,1-3H3,(H,18,23)
InChIKeyNSWSIPAHRNTUTD-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.93
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide (PubChem CID 109252763) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide
PubChem CID109252763
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide
SMILESCCN(c1ccccc1)c1ncc(C(=O)NCCN(C)C)cn1
InChIInChI=1S/C17H23N5O/c1-4-22(15-8-6-5-7-9-15)17-19-12-14(13-20-17)16(23)18-10-11-21(2)3/h5-9,12-13H,4,10-11H2,1-3H3,(H,18,23)
InChIKeyNSWSIPAHRNTUTD-UHFFFAOYSA-N
XLogP1.93
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109252850
2-(diethylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252730
2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256934
2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256137
N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109249620
2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109258023
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267666
4-N-[2-(dimethylamino)ethyl]-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109083472
N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267710
N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109266377
ethyl 4-[[2-(N-ethylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109267693

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide (CID 109252763) is N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide is CCN(c1ccccc1)c1ncc(C(=O)NCCN(C)C)cn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide?
The InChIKey is NSWSIPAHRNTUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-4-22(15-8-6-5-7-9-15)17-19-12-14(13-20-17)16(23)18-10-11-21(2)3/h5-9,12-13H,4,10-11H2,1-3H3,(H,18,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).