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

C14H18N4OS — CID 47395140

IUPAC3,3-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC1(C)COCCN1Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C14H18N4OS/c1-14(2)10-19-7-6-18(14)8-11-9-20-13(17-11)12-15-4-3-5-16-12/h3-5,9H,6-8,10H2,1-2H3
InChIKeyNTUROLSSWOFMGY-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.21
Rot. Bonds3

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

3,3-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 47395140) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID47395140
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3,3-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC1(C)COCCN1Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C14H18N4OS/c1-14(2)10-19-7-6-18(14)8-11-9-20-13(17-11)12-15-4-3-5-16-12/h3-5,9H,6-8,10H2,1-2H3
InChIKeyNTUROLSSWOFMGY-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 3,3-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of 3,3-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine (CID 47395140) is 3,3-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for 3,3-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for 3,3-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine is CC1(C)COCCN1Cc1csc(-c2ncccn2)n1.
What is the InChIKey of 3,3-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is NTUROLSSWOFMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-14(2)10-19-7-6-18(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 3,3-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine?
3,3-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 3,3-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 47395140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).