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

C12H16N4OS — CID 62795872

IUPAC6-(methoxymethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCNc1cc(COC)nc(Cc2nc(C)cs2)n1
InChIInChI=1S/C12H16N4OS/c1-8-7-18-12(14-8)5-11-15-9(6-17-3)4-10(13-2)16-11/h4,7H,5-6H2,1-3H3,(H,13,15,16)
InChIKeyPDIAYGJGQJFLJB-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.02
Rot. Bonds5

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

6-(methoxymethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 62795872) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID62795872
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name6-(methoxymethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCNc1cc(COC)nc(Cc2nc(C)cs2)n1
InChIInChI=1S/C12H16N4OS/c1-8-7-18-12(14-8)5-11-15-9(6-17-3)4-10(13-2)16-11/h4,7H,5-6H2,1-3H3,(H,13,15,16)
InChIKeyPDIAYGJGQJFLJB-UHFFFAOYSA-N
XLogP2.02
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (CID 62795872) is 6-(methoxymethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is CNc1cc(COC)nc(Cc2nc(C)cs2)n1.
What is the InChIKey of 6-(methoxymethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is PDIAYGJGQJFLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-7-18-12(14-8)5-11-15-9(6-17-3)4-10(13-2)16-11/h4,7H,5-6H2,1-3H3,(H,13,15,16).
What are the key properties of 6-(methoxymethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
6-(methoxymethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 264.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 62795872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).