(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine

C16H22N4OS — CID 125025991

IUPAC(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCc1cc(CC[C@@H]2CN(Cc3csc(C)n3)CCO2)ncn1
InChIInChI=1S/C16H22N4OS/c1-12-7-14(18-11-17-12)3-4-16-9-20(5-6-21-16)8-15-10-22-13(2)19-15/h7,10-11,16H,3-6,8-9H2,1-2H3/t16-/m1/s1
InChIKeyZQKUZGTUYKGGDT-MRXNPFEDSA-N
MW318.45 g/mol
LogP2.38
Rot. Bonds5

About (2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine

(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 125025991) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is (2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID125025991
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCc1cc(CC[C@@H]2CN(Cc3csc(C)n3)CCO2)ncn1
InChIInChI=1S/C16H22N4OS/c1-12-7-14(18-11-17-12)3-4-16-9-20(5-6-21-16)8-15-10-22-13(2)19-15/h7,10-11,16H,3-6,8-9H2,1-2H3/t16-/m1/s1
InChIKeyZQKUZGTUYKGGDT-MRXNPFEDSA-N
XLogP2.38
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of (2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine (CID 125025991) is (2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine is Cc1cc(CC[C@@H]2CN(Cc3csc(C)n3)CCO2)ncn1.
What is the InChIKey of (2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is ZQKUZGTUYKGGDT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12-7-14(18-11-17-12)3-4-16-9-20(5-6-21-16)8-15-10-22-13(2)19-15/h7,10-11,16H,3-6,8-9H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine?
(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 318.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 125025991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).