4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine

C18H20N4S — CID 127043102

IUPAC4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCCCCc1ccc(-c2nc(C)c(-c3ccnc(N)n3)s2)cc1
InChIInChI=1S/C18H20N4S/c1-3-4-5-13-6-8-14(9-7-13)17-21-12(2)16(23-17)15-10-11-20-18(19)22-15/h6-11H,3-5H2,1-2H3,(H2,19,20,22)
InChIKeyQFLXHXZLICZABS-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.50
Rot. Bonds5

About 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine

4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 127043102) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID127043102
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCCCCc1ccc(-c2nc(C)c(-c3ccnc(N)n3)s2)cc1
InChIInChI=1S/C18H20N4S/c1-3-4-5-13-6-8-14(9-7-13)17-21-12(2)16(23-17)15-10-11-20-18(19)22-15/h6-11H,3-5H2,1-2H3,(H2,19,20,22)
InChIKeyQFLXHXZLICZABS-UHFFFAOYSA-N
XLogP4.50
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 127043102) is 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is CCCCc1ccc(-c2nc(C)c(-c3ccnc(N)n3)s2)cc1.
What is the InChIKey of 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is QFLXHXZLICZABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-3-4-5-13-6-8-14(9-7-13)17-21-12(2)16(23-17)15-10-11-20-18(19)22-15/h6-11H,3-5H2,1-2H3,(H2,19,20,22).
What are the key properties of 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 324.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 127043102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).