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

C12H16N4O2S — CID 138008560

IUPAC4-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine
SMILESCOc1cc(C)nc(N(C)Cc2csnc2OC)n1
InChIInChI=1S/C12H16N4O2S/c1-8-5-10(17-3)14-12(13-8)16(2)6-9-7-19-15-11(9)18-4/h5,7H,6H2,1-4H3
InChIKeyWYNPFNGIHVCMGA-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.90
Rot. Bonds5

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

4-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine (PubChem CID 138008560) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine
PubChem CID138008560
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine
SMILESCOc1cc(C)nc(N(C)Cc2csnc2OC)n1
InChIInChI=1S/C12H16N4O2S/c1-8-5-10(17-3)14-12(13-8)16(2)6-9-7-19-15-11(9)18-4/h5,7H,6H2,1-4H3
InChIKeyWYNPFNGIHVCMGA-UHFFFAOYSA-N
XLogP1.90
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 138050716
Carbamothioic acid, o-[6-methyl-2-(1-pyrrolidinyl)-4-pyrimidinyl]
CID 334842
2-cyclopropyl-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 137930575
[(3S,4S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidin-3-yl]methanesulfonamide
CID 138020144
4-ethyl-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 138050715
N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,2,6-trimethylpyrimidin-4-amine
CID 138050721
4-methoxy-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 138050725
N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 138050729
1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]piperidin-4-amine
CID 146104287

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine (CID 138008560) is 4-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine is COc1cc(C)nc(N(C)Cc2csnc2OC)n1.
What is the InChIKey of 4-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine?
The InChIKey is WYNPFNGIHVCMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8-5-10(17-3)14-12(13-8)16(2)6-9-7-19-15-11(9)18-4/h5,7H,6H2,1-4H3.
What are the key properties of 4-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine?
4-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine has a molecular weight of 280.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 138008560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).