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

C12H16N4O2S — CID 115355155

IUPAC4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC(C)c2nc(C)cs2)n1
InChIInChI=1S/C12H16N4O2S/c1-7-6-19-11(13-7)8(2)14-12-15-9(17-3)5-10(16-12)18-4/h5-6,8H,1-4H3,(H,14,15,16)
InChIKeyDFUPOQQQTJEQAS-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.43
Rot. Bonds5

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

4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 115355155) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
PubChem CID115355155
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC(C)c2nc(C)cs2)n1
InChIInChI=1S/C12H16N4O2S/c1-7-6-19-11(13-7)8(2)14-12-15-9(17-3)5-10(16-12)18-4/h5-6,8H,1-4H3,(H,14,15,16)
InChIKeyDFUPOQQQTJEQAS-UHFFFAOYSA-N
XLogP2.43
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 115354957
2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844575
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 115355042
6-ethoxy-4-N-methyl-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80843765
6-chloro-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80843860
4-methoxy-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidin-2-amine
CID 112691799
1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine
CID 130870623
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 63091595
2-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565229
6-hydrazinyl-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 81006218
2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756779
N-[1-(furan-2-yl)ethyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691697

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine (CID 115355155) is 4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine is COc1cc(OC)nc(NC(C)c2nc(C)cs2)n1.
What is the InChIKey of 4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is DFUPOQQQTJEQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-7-6-19-11(13-7)8(2)14-12-15-9(17-3)5-10(16-12)18-4/h5-6,8H,1-4H3,(H,14,15,16).
What are the key properties of 4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine?
4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 280.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 115355155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).