2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine

C13H11N5S — CID 63020540

IUPAC2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1ncc(-c2nc(-c3cccnc3)cs2)c(N)n1
InChIInChI=1S/C13H11N5S/c1-8-16-6-10(12(14)17-8)13-18-11(7-19-13)9-3-2-4-15-5-9/h2-7H,1H3,(H2,14,16,17)
InChIKeyRUPBVSUXOGTTMK-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.55
Rot. Bonds2

About 2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine

2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 63020540) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID63020540
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC Name2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1ncc(-c2nc(-c3cccnc3)cs2)c(N)n1
InChIInChI=1S/C13H11N5S/c1-8-16-6-10(12(14)17-8)13-18-11(7-19-13)9-3-2-4-15-5-9/h2-7H,1H3,(H2,14,16,17)
InChIKeyRUPBVSUXOGTTMK-UHFFFAOYSA-N
XLogP2.55
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine (CID 63020540) is 2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine is Cc1ncc(-c2nc(-c3cccnc3)cs2)c(N)n1.
What is the InChIKey of 2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is RUPBVSUXOGTTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c1-8-16-6-10(12(14)17-8)13-18-11(7-19-13)9-3-2-4-15-5-9/h2-7H,1H3,(H2,14,16,17).
What are the key properties of 2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine?
2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 269.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 63020540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).