4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine

C12H19N3O — CID 3306908

IUPAC4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine
SMILESCc1cc(N2CCOCC2)nc(C(C)C)n1
InChIInChI=1S/C12H19N3O/c1-9(2)12-13-10(3)8-11(14-12)15-4-6-16-7-5-15/h8-9H,4-7H2,1-3H3
InChIKeyMMUVMJBBYCJHQT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.75
Rot. Bonds2

About 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine

4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine (PubChem CID 3306908) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine
PubChem CID3306908
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine
SMILESCc1cc(N2CCOCC2)nc(C(C)C)n1
InChIInChI=1S/C12H19N3O/c1-9(2)12-13-10(3)8-11(14-12)15-4-6-16-7-5-15/h8-9H,4-7H2,1-3H3
InChIKeyMMUVMJBBYCJHQT-UHFFFAOYSA-N
XLogP1.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine (CID 3306908) is 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine is Cc1cc(N2CCOCC2)nc(C(C)C)n1.
What is the InChIKey of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine?
The InChIKey is MMUVMJBBYCJHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)12-13-10(3)8-11(14-12)15-4-6-16-7-5-15/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine?
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine has a molecular weight of 221.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 3306908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).