N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine

C12H16N4OS — CID 154735469

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(NCc2sc(C)nc2C)n1
InChIInChI=1S/C12H16N4OS/c1-7-5-11(17-4)16-12(14-7)13-6-10-8(2)15-9(3)18-10/h5H,6H2,1-4H3,(H,13,14,16)
InChIKeyHVZRSPIHJXAQRA-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.48
Rot. Bonds4

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine (PubChem CID 154735469) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
PubChem CID154735469
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(NCc2sc(C)nc2C)n1
InChIInChI=1S/C12H16N4OS/c1-7-5-11(17-4)16-12(14-7)13-6-10-8(2)15-9(3)18-10/h5H,6H2,1-4H3,(H,13,14,16)
InChIKeyHVZRSPIHJXAQRA-UHFFFAOYSA-N
XLogP2.48
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112691004
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112706250
4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691839
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 115633925
N-[(1-ethylcyclopentyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 114125759
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 112691802
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxypyridin-3-amine
CID 75386237
N-(4-methoxy-6-methylpyrimidin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112691667
4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine (CID 154735469) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine is COc1cc(C)nc(NCc2sc(C)nc2C)n1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
The InChIKey is HVZRSPIHJXAQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7-5-11(17-4)16-12(14-7)13-6-10-8(2)15-9(3)18-10/h5H,6H2,1-4H3,(H,13,14,16).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine has a molecular weight of 264.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 154735469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).