2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide

C13H16N4OS — CID 56740516

IUPAC2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(C)Cc2ccsc2)cn1
InChIInChI=1S/C13H16N4OS/c1-3-14-13-15-6-11(7-16-13)12(18)17(2)8-10-4-5-19-9-10/h4-7,9H,3,8H2,1-2H3,(H,14,15,16)
InChIKeyKZFWBRJDANRJJT-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.24
Rot. Bonds5

About 2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide

2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 56740516) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide
PubChem CID56740516
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(C)Cc2ccsc2)cn1
InChIInChI=1S/C13H16N4OS/c1-3-14-13-15-6-11(7-16-13)12(18)17(2)8-10-4-5-19-9-10/h4-7,9H,3,8H2,1-2H3,(H,14,15,16)
InChIKeyKZFWBRJDANRJJT-UHFFFAOYSA-N
XLogP2.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
CID 162642942
N-hydroxy-2-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]pyrimidine-5-carboxamide;hydrochloride
CID 166633061
5-{[sec-butyl(3-thienylmethyl)amino]methyl}-N-isopropylpyrimidin-2-amine
CID 46988221
N-[(5-bromothiophen-3-yl)methyl]-3-(pyrimidin-2-ylamino)propanamide
CID 47284992
N-[(3S,5S)-5-[(ethylamino)carbonyl]-1-(3-thienylmethyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 72855573
6-[(diethylamino)methyl]-N-(3-thienylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56749563
N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}thiophene-3-carboxamide
CID 49687694
N-[2-(Pyrrolidin-1-YL)pyrimidin-5-YL]thiophene-3-carboxamide
CID 53164631
N-[2-(Piperidin-1-YL)pyrimidin-5-YL]thiophene-3-carboxamide
CID 53164680
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]thiophene-3-carboxamide
CID 91922862
N-hydroxy-2-[[4-(thiophen-3-ylmethylamino)cyclohexyl]amino]pyrimidine-5-carboxamide;hydrochloride
CID 178300380
N-thiophen-2-ylpyrimidine-5-carboxamide
CID 57469842

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide (CID 56740516) is 2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide is CCNc1ncc(C(=O)N(C)Cc2ccsc2)cn1.
What is the InChIKey of 2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is KZFWBRJDANRJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-14-13-15-6-11(7-16-13)12(18)17(2)8-10-4-5-19-9-10/h4-7,9H,3,8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide?
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 56740516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).