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

C13H18N4S — CID 138014686

IUPACN-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine
SMILESCCc1sc(NCc2nc(C)cc(C)n2)nc1C
InChIInChI=1S/C13H18N4S/c1-5-11-10(4)17-13(18-11)14-7-12-15-8(2)6-9(3)16-12/h6H,5,7H2,1-4H3,(H,14,17)
InChIKeyMMJQRAGPQNLQOR-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.03
Rot. Bonds4

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

N-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine (PubChem CID 138014686) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine
PubChem CID138014686
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine
SMILESCCc1sc(NCc2nc(C)cc(C)n2)nc1C
InChIInChI=1S/C13H18N4S/c1-5-11-10(4)17-13(18-11)14-7-12-15-8(2)6-9(3)16-12/h6H,5,7H2,1-4H3,(H,14,17)
InChIKeyMMJQRAGPQNLQOR-UHFFFAOYSA-N
XLogP3.03
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3-thiazol-2-amine
CID 683952
N~4~-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 72896949
4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine
CID 134414944
2-N,4-N,4-N,6-tetramethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 53539526
N~4~-{[2-(dimethylamino)-1,3-thiazol-4-yl]methyl}-6-isopropylpyrimidine-2,4-diamine
CID 72842929
6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 72882505
N-[2-(4,5-Dimethyl-1,3-thiazol-2-YL)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-YL)piperidin-4-amine
CID 72929445
4-methyl-N-[2-methyl-6-(1-methylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110269637
2-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazol-4-yl)-N-ethylacetamide
CID 49670866
N-[(2-Amino-1,3-thiazol-4-YL)methyl]-6-methyl-2-propylpyrimidin-4-amine
CID 50965012
6-(2-Aminoethyl)-N-[(2-isopropyl-1,3-thiazol-4-YL)methyl]-N,2-dimethylpyrimidin-4-amine
CID 56701328
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine (CID 138014686) is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine is CCc1sc(NCc2nc(C)cc(C)n2)nc1C.
What is the InChIKey of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine?
The InChIKey is MMJQRAGPQNLQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-5-11-10(4)17-13(18-11)14-7-12-15-8(2)6-9(3)16-12/h6H,5,7H2,1-4H3,(H,14,17).
What are the key properties of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine?
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 138014686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).