N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide

C18H30N4O4 — CID 66653331

IUPACN-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide
SMILESCOc1nc(N2CCC(OC)CC2)nc(OC)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C18H30N4O4/c1-18(2,3)11-13(23)19-14-15(25-5)20-17(21-16(14)26-6)22-9-7-12(24-4)8-10-22/h12H,7-11H2,1-6H3,(H,19,23)
InChIKeyXHJMCIALHJMEBB-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.48
Rot. Bonds6

About N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide

N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide (PubChem CID 66653331) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide
PubChem CID66653331
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC NameN-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide
SMILESCOc1nc(N2CCC(OC)CC2)nc(OC)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C18H30N4O4/c1-18(2,3)11-13(23)19-14-15(25-5)20-17(21-16(14)26-6)22-9-7-12(24-4)8-10-22/h12H,7-11H2,1-6H3,(H,19,23)
InChIKeyXHJMCIALHJMEBB-UHFFFAOYSA-N
XLogP2.48
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide (CID 66653331) is N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide is COc1nc(N2CCC(OC)CC2)nc(OC)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide?
The InChIKey is XHJMCIALHJMEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-18(2,3)11-13(23)19-14-15(25-5)20-17(21-16(14)26-6)22-9-7-12(24-4)8-10-22/h12H,7-11H2,1-6H3,(H,19,23).
What are the key properties of N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide?
N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide has a molecular weight of 366.46 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 66653331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).