N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide

C17H24N4OS — CID 50982102

IUPACN-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(CCN(C)C)Cc2ccc(C)s2)cn1
InChIInChI=1S/C17H24N4OS/c1-5-16-18-10-14(11-19-16)17(22)21(9-8-20(3)4)12-15-7-6-13(2)23-15/h6-7,10-11H,5,8-9,12H2,1-4H3
InChIKeyRQBNSZRIBCANJB-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.61
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 50982102) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide
PubChem CID50982102
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(CCN(C)C)Cc2ccc(C)s2)cn1
InChIInChI=1S/C17H24N4OS/c1-5-16-18-10-14(11-19-16)17(22)21(9-8-20(3)4)12-15-7-6-13(2)23-15/h6-7,10-11H,5,8-9,12H2,1-4H3
InChIKeyRQBNSZRIBCANJB-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 74240783
N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 46987892
5-acetyl-N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]thiophene-3-carboxamide
CID 72889827
N-ethyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 139526737
N'-[2-(dimethylamino)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-[(5-methylthiophen-2-yl)methyl]oxamide
CID 50976253
N-[2-(dimethylamino)ethyl]-5-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
CID 135105751
N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 74251315
3-cyclopropyl-N-(2-hydroxyethyl)-N-[(5-methylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176502241
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 5035260
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586586
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-butyl-4-methylbenzamide
CID 5138821
N-cyclopentyl-6-(dimethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 74233755

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide (CID 50982102) is N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)N(CCN(C)C)Cc2ccc(C)s2)cn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is RQBNSZRIBCANJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-5-16-18-10-14(11-19-16)17(22)21(9-8-20(3)4)12-15-7-6-13(2)23-15/h6-7,10-11H,5,8-9,12H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-ethyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 50982102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).