2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine

C12H18ClN3O — CID 79077687

IUPAC2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine
SMILESCC(C)c1cc(Cl)nc(C2CN(C)CCO2)n1
InChIInChI=1S/C12H18ClN3O/c1-8(2)9-6-11(13)15-12(14-9)10-7-16(3)4-5-17-10/h6,8,10H,4-5,7H2,1-3H3
InChIKeyGICOJMHNPZMWDU-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.26
Rot. Bonds2

About 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine

2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine (PubChem CID 79077687) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine.

Molecular Properties

Compound Name2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine
PubChem CID79077687
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine
SMILESCC(C)c1cc(Cl)nc(C2CN(C)CCO2)n1
InChIInChI=1S/C12H18ClN3O/c1-8(2)9-6-11(13)15-12(14-9)10-7-16(3)4-5-17-10/h6,8,10H,4-5,7H2,1-3H3
InChIKeyGICOJMHNPZMWDU-UHFFFAOYSA-N
XLogP2.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine?
The IUPAC name of 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine (CID 79077687) is 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine.
What is the SMILES notation for 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine?
The canonical SMILES for 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine is CC(C)c1cc(Cl)nc(C2CN(C)CCO2)n1.
What is the InChIKey of 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine?
The InChIKey is GICOJMHNPZMWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8(2)9-6-11(13)15-12(14-9)10-7-16(3)4-5-17-10/h6,8,10H,4-5,7H2,1-3H3.
What are the key properties of 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine?
2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine has a molecular weight of 255.75 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine is sourced from PubChem (CID 79077687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).