5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C16H16ClN5S — CID 52943970

IUPAC5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(N)n2)s1
InChIInChI=1S/C16H16ClN5S/c1-9(2)20-16-19-8-14(23-16)13-7-12(21-15(18)22-13)10-5-3-4-6-11(10)17/h3-9H,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyDIELJEQOYPDCJF-UHFFFAOYSA-N
MW345.86 g/mol
LogP4.32
Rot. Bonds4

About 5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine

5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 52943970) has the molecular formula C16H16ClN5S and a molecular weight of 345.86 g/mol. Its IUPAC name is 5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID52943970
Molecular FormulaC16H16ClN5S
Molecular Weight345.86 g/mol
Exact Mass345.08
IUPAC Name5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(N)n2)s1
InChIInChI=1S/C16H16ClN5S/c1-9(2)20-16-19-8-14(23-16)13-7-12(21-15(18)22-13)10-5-3-4-6-11(10)17/h3-9H,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyDIELJEQOYPDCJF-UHFFFAOYSA-N
XLogP4.32
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 52943970) is 5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(N)n2)s1.
What is the InChIKey of 5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is DIELJEQOYPDCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5S/c1-9(2)20-16-19-8-14(23-16)13-7-12(21-15(18)22-13)10-5-3-4-6-11(10)17/h3-9H,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of 5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 345.86 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 52943970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).