N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide

C16H22N4OS — CID 95127765

IUPACN-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NC[C@H](c2sccc2C)N(C)C)cn1
InChIInChI=1S/C16H22N4OS/c1-5-14-17-8-12(9-18-14)16(21)19-10-13(20(3)4)15-11(2)6-7-22-15/h6-9,13H,5,10H2,1-4H3,(H,19,21)/t13-/m1/s1
InChIKeyUWMKPNNBISIYKP-CYBMUJFWSA-N
MW318.45 g/mol
LogP2.44
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide

N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide (PubChem CID 95127765) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide
PubChem CID95127765
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NC[C@H](c2sccc2C)N(C)C)cn1
InChIInChI=1S/C16H22N4OS/c1-5-14-17-8-12(9-18-14)16(21)19-10-13(20(3)4)15-11(2)6-7-22-15/h6-9,13H,5,10H2,1-4H3,(H,19,21)/t13-/m1/s1
InChIKeyUWMKPNNBISIYKP-CYBMUJFWSA-N
XLogP2.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97116216
N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 56885380
2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131920115
3-(dimethylamino)-3-(3-methylthiophen-2-yl)propanoic acid
CID 64526594
[6-[[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 135100948
1-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-3-(1-propyltriazol-4-yl)urea
CID 125179432
3-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 125436046
2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide
CID 74238284
N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N'-(2,5-dimethylphenyl)propanediamide
CID 50958954
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 160892074
N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide
CID 125157933
N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70719444

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide (CID 95127765) is N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide is CCc1ncc(C(=O)NC[C@H](c2sccc2C)N(C)C)cn1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide?
The InChIKey is UWMKPNNBISIYKP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-5-14-17-8-12(9-18-14)16(21)19-10-13(20(3)4)15-11(2)6-7-22-15/h6-9,13H,5,10H2,1-4H3,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-ethylpyrimidine-5-carboxamide is sourced from PubChem (CID 95127765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).