N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

C9H12N4S — CID 899477

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(NC2=NCCS2)n1
InChIInChI=1S/C9H12N4S/c1-6-5-7(2)12-8(11-6)13-9-10-3-4-14-9/h5H,3-4H2,1-2H3,(H,10,11,12,13)
InChIKeyQUBLKMUHLYZLCY-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.61
Rot. Bonds1

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

N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 899477) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID899477
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(NC2=NCCS2)n1
InChIInChI=1S/C9H12N4S/c1-6-5-7(2)12-8(11-6)13-9-10-3-4-14-9/h5H,3-4H2,1-2H3,(H,10,11,12,13)
InChIKeyQUBLKMUHLYZLCY-UHFFFAOYSA-N
XLogP1.61
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 899477) is N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(C)nc(NC2=NCCS2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QUBLKMUHLYZLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6-5-7(2)12-8(11-6)13-9-10-3-4-14-9/h5H,3-4H2,1-2H3,(H,10,11,12,13).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 208.29 g/mol, XLogP of 1.61, 1 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)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 899477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).