2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine

C14H18N4OS — CID 56814965

IUPAC2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC1(C)CN(Cc2csc(-c3ncccn3)n2)CCO1
InChIInChI=1S/C14H18N4OS/c1-14(2)10-18(6-7-19-14)8-11-9-20-13(17-11)12-15-4-3-5-16-12/h3-5,9H,6-8,10H2,1-2H3
InChIKeyFRZLQMDNYOWCIL-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.21
Rot. Bonds3

About 2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine

2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 56814965) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID56814965
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC1(C)CN(Cc2csc(-c3ncccn3)n2)CCO1
InChIInChI=1S/C14H18N4OS/c1-14(2)10-18(6-7-19-14)8-11-9-20-13(17-11)12-15-4-3-5-16-12/h3-5,9H,6-8,10H2,1-2H3
InChIKeyFRZLQMDNYOWCIL-UHFFFAOYSA-N
XLogP2.21
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of 2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine (CID 56814965) is 2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for 2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine is CC1(C)CN(Cc2csc(-c3ncccn3)n2)CCO1.
What is the InChIKey of 2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is FRZLQMDNYOWCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-14(2)10-18(6-7-19-14)8-11-9-20-13(17-11)12-15-4-3-5-16-12/h3-5,9H,6-8,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 290.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 56814965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).