5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine

C21H19ClN6OS — CID 91603330

IUPAC5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2cc(CCCc3cnc(N)s3)nc(-c3cnccn3)n2)c(Cl)c1
InChIInChI=1S/C21H19ClN6OS/c1-29-14-5-6-16(17(22)10-14)18-9-13(3-2-4-15-11-26-21(23)30-15)27-20(28-18)19-12-24-7-8-25-19/h5-12H,2-4H2,1H3,(H2,23,26)
InChIKeyMPFYRMNUJZBSCF-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.48
Rot. Bonds7

About 5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine

5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 91603330) has the molecular formula C21H19ClN6OS and a molecular weight of 438.94 g/mol. Its IUPAC name is 5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine
PubChem CID91603330
Molecular FormulaC21H19ClN6OS
Molecular Weight438.94 g/mol
Exact Mass438.10
IUPAC Name5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2cc(CCCc3cnc(N)s3)nc(-c3cnccn3)n2)c(Cl)c1
InChIInChI=1S/C21H19ClN6OS/c1-29-14-5-6-16(17(22)10-14)18-9-13(3-2-4-15-11-26-21(23)30-15)27-20(28-18)19-12-24-7-8-25-19/h5-12H,2-4H2,1H3,(H2,23,26)
InChIKeyMPFYRMNUJZBSCF-UHFFFAOYSA-N
XLogP4.48
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine (CID 91603330) is 5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine is COc1ccc(-c2cc(CCCc3cnc(N)s3)nc(-c3cnccn3)n2)c(Cl)c1.
What is the InChIKey of 5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is MPFYRMNUJZBSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6OS/c1-29-14-5-6-16(17(22)10-14)18-9-13(3-2-4-15-11-26-21(23)30-15)27-20(28-18)19-12-24-7-8-25-19/h5-12H,2-4H2,1H3,(H2,23,26).
What are the key properties of 5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine?
5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 438.94 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(2-chloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 91603330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).