5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine

C12H20ClN3O2 — CID 104624132

IUPAC5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine
SMILESCOCCC(C)(C)CNc1nc(OC)ncc1Cl
InChIInChI=1S/C12H20ClN3O2/c1-12(2,5-6-17-3)8-15-10-9(13)7-14-11(16-10)18-4/h7H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyUQXWCTGIAAKWGD-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.61
Rot. Bonds7

About 5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine

5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine (PubChem CID 104624132) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine
PubChem CID104624132
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine
SMILESCOCCC(C)(C)CNc1nc(OC)ncc1Cl
InChIInChI=1S/C12H20ClN3O2/c1-12(2,5-6-17-3)8-15-10-9(13)7-14-11(16-10)18-4/h7H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyUQXWCTGIAAKWGD-UHFFFAOYSA-N
XLogP2.61
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine (CID 104624132) is 5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine is COCCC(C)(C)CNc1nc(OC)ncc1Cl.
What is the InChIKey of 5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine?
The InChIKey is UQXWCTGIAAKWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2/c1-12(2,5-6-17-3)8-15-10-9(13)7-14-11(16-10)18-4/h7H,5-6,8H2,1-4H3,(H,14,15,16).
What are the key properties of 5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine?
5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine has a molecular weight of 273.76 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 104624132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).