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

C17H28N4O4 — CID 122191420

IUPACN-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3-methylbutanamide
SMILESCOc1nc(N2CCC(OC)CC2)nc(OC)c1NC(=O)CC(C)C
InChIInChI=1S/C17H28N4O4/c1-11(2)10-13(22)18-14-15(24-4)19-17(20-16(14)25-5)21-8-6-12(23-3)7-9-21/h11-12H,6-10H2,1-5H3,(H,18,22)
InChIKeyWLRCFJPLUWMENY-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.09
Rot. Bonds7

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

N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3-methylbutanamide (PubChem CID 122191420) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3-methylbutanamide
PubChem CID122191420
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC NameN-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3-methylbutanamide
SMILESCOc1nc(N2CCC(OC)CC2)nc(OC)c1NC(=O)CC(C)C
InChIInChI=1S/C17H28N4O4/c1-11(2)10-13(22)18-14-15(24-4)19-17(20-16(14)25-5)21-8-6-12(23-3)7-9-21/h11-12H,6-10H2,1-5H3,(H,18,22)
InChIKeyWLRCFJPLUWMENY-UHFFFAOYSA-N
XLogP2.09
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.09
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-methylbutanamide?
The IUPAC name of N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3-methylbutanamide (CID 122191420) is N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3-methylbutanamide.
What is the SMILES notation for N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3-methylbutanamide?
The canonical SMILES for N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3-methylbutanamide is COc1nc(N2CCC(OC)CC2)nc(OC)c1NC(=O)CC(C)C.
What is the InChIKey of N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3-methylbutanamide?
The InChIKey is WLRCFJPLUWMENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-11(2)10-13(22)18-14-15(24-4)19-17(20-16(14)25-5)21-8-6-12(23-3)7-9-21/h11-12H,6-10H2,1-5H3,(H,18,22).
What are the key properties of N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3-methylbutanamide?
N-[4,6-dimethoxy-2-(4-methoxypiperidin-1-yl)pyrimidin-5-yl]-3-methylbutanamide has a molecular weight of 352.44 g/mol, XLogP of 2.09, 7 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-methylbutanamide is sourced from PubChem (CID 122191420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).