2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine

C14H21Cl2N3O — CID 79657822

IUPAC2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine
SMILESCC(C)c1c(Cl)nc(C2CN(C(C)C)CCO2)nc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-8(2)11-12(15)17-14(18-13(11)16)10-7-19(9(3)4)5-6-20-10/h8-10H,5-7H2,1-4H3
InChIKeyOCYVXFWELZGBBI-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.69
Rot. Bonds3

About 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine

2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine (PubChem CID 79657822) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine
PubChem CID79657822
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine
SMILESCC(C)c1c(Cl)nc(C2CN(C(C)C)CCO2)nc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-8(2)11-12(15)17-14(18-13(11)16)10-7-19(9(3)4)5-6-20-10/h8-10H,5-7H2,1-4H3
InChIKeyOCYVXFWELZGBBI-UHFFFAOYSA-N
XLogP3.69
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine?
The IUPAC name of 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine (CID 79657822) is 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine is CC(C)c1c(Cl)nc(C2CN(C(C)C)CCO2)nc1Cl.
What is the InChIKey of 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine?
The InChIKey is OCYVXFWELZGBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-8(2)11-12(15)17-14(18-13(11)16)10-7-19(9(3)4)5-6-20-10/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine?
2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine has a molecular weight of 318.25 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 79657822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).