5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine

C25H26N4OS — CID 58688418

IUPAC5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(-c3ccc(OCc4ccccc4)cc3C)nc(C)n2)s1
InChIInChI=1S/C25H26N4OS/c1-4-12-26-25-27-15-24(31-25)23-14-22(28-18(3)29-23)21-11-10-20(13-17(21)2)30-16-19-8-6-5-7-9-19/h5-11,13-15H,4,12,16H2,1-3H3,(H,26,27)
InChIKeyPWRUVJWJLIZHCF-UHFFFAOYSA-N
MW430.58 g/mol
LogP6.28
Rot. Bonds8

About 5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine

5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 58688418) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is 5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
PubChem CID58688418
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC Name5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(-c3ccc(OCc4ccccc4)cc3C)nc(C)n2)s1
InChIInChI=1S/C25H26N4OS/c1-4-12-26-25-27-15-24(31-25)23-14-22(28-18(3)29-23)21-11-10-20(13-17(21)2)30-16-19-8-6-5-7-9-19/h5-11,13-15H,4,12,16H2,1-3H3,(H,26,27)
InChIKeyPWRUVJWJLIZHCF-UHFFFAOYSA-N
XLogP6.28
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (CID 58688418) is 5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(-c2cc(-c3ccc(OCc4ccccc4)cc3C)nc(C)n2)s1.
What is the InChIKey of 5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is PWRUVJWJLIZHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-4-12-26-25-27-15-24(31-25)23-14-22(28-18(3)29-23)21-11-10-20(13-17(21)2)30-16-19-8-6-5-7-9-19/h5-11,13-15H,4,12,16H2,1-3H3,(H,26,27).
What are the key properties of 5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 430.58 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-6-(2-methyl-4-phenylmethoxyphenyl)pyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 58688418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).