4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine

C13H21ClN4O — CID 20785882

IUPAC4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine
SMILESCC(C)(C)CNc1nc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C13H21ClN4O/c1-13(2,3)9-15-12-16-10(14)8-11(17-12)18-4-6-19-7-5-18/h8H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyVQDWPCLOVXXYNO-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.42
Rot. Bonds3

About 4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine

4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 20785882) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID20785882
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine
SMILESCC(C)(C)CNc1nc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C13H21ClN4O/c1-13(2,3)9-15-12-16-10(14)8-11(17-12)18-4-6-19-7-5-18/h8H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyVQDWPCLOVXXYNO-UHFFFAOYSA-N
XLogP2.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine (CID 20785882) is 4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine is CC(C)(C)CNc1nc(Cl)cc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is VQDWPCLOVXXYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-13(2,3)9-15-12-16-10(14)8-11(17-12)18-4-6-19-7-5-18/h8H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of 4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine?
4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 284.79 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-dimethylpropyl)-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 20785882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).