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

C18H30N4O4 — CID 122191418

IUPACN-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-4-methylpentanamide
SMILESCOc1nc(N2CCC(OC)CC2)nc(OC)c1NC(=O)CCC(C)C
InChIInChI=1S/C18H30N4O4/c1-12(2)6-7-14(23)19-15-16(25-4)20-18(21-17(15)26-5)22-10-8-13(24-3)9-11-22/h12-13H,6-11H2,1-5H3,(H,19,23)
InChIKeyRBOXJZJAJOZKAZ-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.48
Rot. Bonds8

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

N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-4-methylpentanamide (PubChem CID 122191418) 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]-4-methylpentanamide.

Molecular Properties

Compound NameN-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-4-methylpentanamide
PubChem CID122191418
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC NameN-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-4-methylpentanamide
SMILESCOc1nc(N2CCC(OC)CC2)nc(OC)c1NC(=O)CCC(C)C
InChIInChI=1S/C18H30N4O4/c1-12(2)6-7-14(23)19-15-16(25-4)20-18(21-17(15)26-5)22-10-8-13(24-3)9-11-22/h12-13H,6-11H2,1-5H3,(H,19,23)
InChIKeyRBOXJZJAJOZKAZ-UHFFFAOYSA-N
XLogP2.48
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
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]-4-methylpentanamide?
The IUPAC name of N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-4-methylpentanamide (CID 122191418) is N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-4-methylpentanamide.
What is the SMILES notation for N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-4-methylpentanamide?
The canonical SMILES for N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-4-methylpentanamide is COc1nc(N2CCC(OC)CC2)nc(OC)c1NC(=O)CCC(C)C.
What is the InChIKey of N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-4-methylpentanamide?
The InChIKey is RBOXJZJAJOZKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-12(2)6-7-14(23)19-15-16(25-4)20-18(21-17(15)26-5)22-10-8-13(24-3)9-11-22/h12-13H,6-11H2,1-5H3,(H,19,23).
What are the key properties of N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-4-methylpentanamide?
N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-4-methylpentanamide has a molecular weight of 366.46 g/mol, XLogP of 2.48, 8 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]-4-methylpentanamide is sourced from PubChem (CID 122191418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).