5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

C13H18N4S — CID 113388061

IUPAC5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCCNCc1cnc(N(C)Cc2cccs2)nc1
InChIInChI=1S/C13H18N4S/c1-3-14-7-11-8-15-13(16-9-11)17(2)10-12-5-4-6-18-12/h4-6,8-9,14H,3,7,10H2,1-2H3
InChIKeyRTESIKTULYVHCZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.28
Rot. Bonds6

About 5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 113388061) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID113388061
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCCNCc1cnc(N(C)Cc2cccs2)nc1
InChIInChI=1S/C13H18N4S/c1-3-14-7-11-8-15-13(16-9-11)17(2)10-12-5-4-6-18-12/h4-6,8-9,14H,3,7,10H2,1-2H3
InChIKeyRTESIKTULYVHCZ-UHFFFAOYSA-N
XLogP2.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81250101
N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80631053
N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine
CID 62757497
N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
CID 62323331
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769365
N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61449230
2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796444
N-[[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62757503
3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55054537
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 107509773
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 83185706
1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol
CID 155951487

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 113388061) is 5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is CCNCc1cnc(N(C)Cc2cccs2)nc1.
What is the InChIKey of 5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is RTESIKTULYVHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-14-7-11-8-15-13(16-9-11)17(2)10-12-5-4-6-18-12/h4-6,8-9,14H,3,7,10H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 113388061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).