4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine

C18H23N3O2 — CID 929670

IUPAC4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine
SMILESCCCc1ccc(Oc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H23N3O2/c1-3-4-15-5-7-16(8-6-15)23-17-13-14(2)19-18(20-17)21-9-11-22-12-10-21/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyFJXRTOYUNOJBNP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.37
Rot. Bonds5

About 4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine

4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine (PubChem CID 929670) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine
PubChem CID929670
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine
SMILESCCCc1ccc(Oc2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H23N3O2/c1-3-4-15-5-7-16(8-6-15)23-17-13-14(2)19-18(20-17)21-9-11-22-12-10-21/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyFJXRTOYUNOJBNP-UHFFFAOYSA-N
XLogP3.37
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine (CID 929670) is 4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine is CCCc1ccc(Oc2cc(C)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine?
The InChIKey is FJXRTOYUNOJBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-4-15-5-7-16(8-6-15)23-17-13-14(2)19-18(20-17)21-9-11-22-12-10-21/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of 4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine?
4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine has a molecular weight of 313.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-(4-propylphenoxy)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 929670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).