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

C19H23ClN6O2S — CID 137355957

IUPACN-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(Nc2ncc(-c3ccncc3)s2)cc(OCCN2CCOCC2)n1.Cl
InChIInChI=1S/C19H22N6O2S.ClH/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);1H
InChIKeyCZWUFIJAJZAZOT-UHFFFAOYSA-N
MW434.95 g/mol
LogP3.18
Rot. Bonds7

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

N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 137355957) has the molecular formula C19H23ClN6O2S and a molecular weight of 434.95 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;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
PubChem CID137355957
Molecular FormulaC19H23ClN6O2S
Molecular Weight434.95 g/mol
Exact Mass434.13
IUPAC NameN-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(Nc2ncc(-c3ccncc3)s2)cc(OCCN2CCOCC2)n1.Cl
InChIInChI=1S/C19H22N6O2S.ClH/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);1H
InChIKeyCZWUFIJAJZAZOT-UHFFFAOYSA-N
XLogP3.18
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 53.18
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;hydrochloride?
The IUPAC name of N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride (CID 137355957) is N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride.
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;hydrochloride?
The canonical SMILES for N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride is Cc1nc(Nc2ncc(-c3ccncc3)s2)cc(OCCN2CCOCC2)n1.Cl.
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;hydrochloride?
The InChIKey is CZWUFIJAJZAZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S.ClH/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);1H.
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;hydrochloride?
N-[2-methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 434.95 g/mol, XLogP of 3.18, 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;hydrochloride is sourced from PubChem (CID 137355957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).