N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine

C13H18N4S — CID 133325870

IUPACN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCCc1cnc(CCNc2nc(C)cc(C)n2)s1
InChIInChI=1S/C13H18N4S/c1-4-11-8-15-12(18-11)5-6-14-13-16-9(2)7-10(3)17-13/h7-8H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyHMJGXYJGPCPNDS-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 133325870) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID133325870
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine
SMILESCCc1cnc(CCNc2nc(C)cc(C)n2)s1
InChIInChI=1S/C13H18N4S/c1-4-11-8-15-12(18-11)5-6-14-13-16-9(2)7-10(3)17-13/h7-8H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyHMJGXYJGPCPNDS-UHFFFAOYSA-N
XLogP2.77
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 71997185
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133325999
4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzonitrile
CID 133325866
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971479
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4-nitroaniline
CID 133341186
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine
CID 115887745
6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133325986
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 115907917
5-chloro-6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxamide
CID 133325951
4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 133326030
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111533283

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine (CID 133325870) is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine is CCc1cnc(CCNc2nc(C)cc(C)n2)s1.
What is the InChIKey of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is HMJGXYJGPCPNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-4-11-8-15-12(18-11)5-6-14-13-16-9(2)7-10(3)17-13/h7-8H,4-6H2,1-3H3,(H,14,16,17).
What are the key properties of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine?
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 133325870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).