6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine

C13H18N4S — CID 79817008

IUPAC6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(Cc2nc(C(C)(C)C)cs2)ncn1
InChIInChI=1S/C13H18N4S/c1-13(2,3)10-7-18-12(17-10)6-9-5-11(14-4)16-8-15-9/h5,7-8H,6H2,1-4H3,(H,14,15,16)
InChIKeyKVTRXVSXKAPKOH-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.86
Rot. Bonds3

About 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine

6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 79817008) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine
PubChem CID79817008
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(Cc2nc(C(C)(C)C)cs2)ncn1
InChIInChI=1S/C13H18N4S/c1-13(2,3)10-7-18-12(17-10)6-9-5-11(14-4)16-8-15-9/h5,7-8H,6H2,1-4H3,(H,14,15,16)
InChIKeyKVTRXVSXKAPKOH-UHFFFAOYSA-N
XLogP2.86
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine (CID 79817008) is 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine is CNc1cc(Cc2nc(C(C)(C)C)cs2)ncn1.
What is the InChIKey of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is KVTRXVSXKAPKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-13(2,3)10-7-18-12(17-10)6-9-5-11(14-4)16-8-15-9/h5,7-8H,6H2,1-4H3,(H,14,15,16).
What are the key properties of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine?
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 262.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79817008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).