N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine

C19H22N6O2S — CID 137355958

IUPACN-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(-c3ccncc3)s2)cc(OCCN2CCOCC2)n1
InChIInChI=1S/C19H22N6O2S/c1-14-22-17(12-18(23-14)27-11-8-25-6-9-26-10-7-25)24-19-21-13-16(28-19)15-2-4-20-5-3-15/h2-5,12-13H,6-11H2,1H3,(H,21,22,23,24)
InChIKeyUIIJBHBXLJPGSH-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.76
Rot. Bonds7

About N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine

N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 137355958) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID137355958
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC NameN-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(-c3ccncc3)s2)cc(OCCN2CCOCC2)n1
InChIInChI=1S/C19H22N6O2S/c1-14-22-17(12-18(23-14)27-11-8-25-6-9-26-10-7-25)24-19-21-13-16(28-19)15-2-4-20-5-3-15/h2-5,12-13H,6-11H2,1H3,(H,21,22,23,24)
InChIKeyUIIJBHBXLJPGSH-UHFFFAOYSA-N
XLogP2.76
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine (CID 137355958) is N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine is Cc1nc(Nc2ncc(-c3ccncc3)s2)cc(OCCN2CCOCC2)n1.
What is the InChIKey of N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is UIIJBHBXLJPGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-14-22-17(12-18(23-14)27-11-8-25-6-9-26-10-7-25)24-19-21-13-16(28-19)15-2-4-20-5-3-15/h2-5,12-13H,6-11H2,1H3,(H,21,22,23,24).
What are the key properties of N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 398.49 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 137355958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).