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

C20H34N4O4 — CID 122191186

IUPACN-[4,6-dimethoxy-2-(4-propan-2-yloxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide
SMILESCOc1nc(N2CCC(OC(C)C)CC2)nc(OC)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C20H34N4O4/c1-13(2)28-14-8-10-24(11-9-14)19-22-17(26-6)16(18(23-19)27-7)21-15(25)12-20(3,4)5/h13-14H,8-12H2,1-7H3,(H,21,25)
InChIKeyGGVSCRINGSNJFB-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.26
Rot. Bonds7

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

N-[4,6-dimethoxy-2-(4-propan-2-yloxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide (PubChem CID 122191186) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[4,6-dimethoxy-2-(4-propan-2-yloxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4,6-dimethoxy-2-(4-propan-2-yloxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide
PubChem CID122191186
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC NameN-[4,6-dimethoxy-2-(4-propan-2-yloxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide
SMILESCOc1nc(N2CCC(OC(C)C)CC2)nc(OC)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C20H34N4O4/c1-13(2)28-14-8-10-24(11-9-14)19-22-17(26-6)16(18(23-19)27-7)21-15(25)12-20(3,4)5/h13-14H,8-12H2,1-7H3,(H,21,25)
InChIKeyGGVSCRINGSNJFB-UHFFFAOYSA-N
XLogP3.26
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.26
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-propan-2-yloxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4,6-dimethoxy-2-(4-propan-2-yloxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide (CID 122191186) is N-[4,6-dimethoxy-2-(4-propan-2-yloxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4,6-dimethoxy-2-(4-propan-2-yloxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4,6-dimethoxy-2-(4-propan-2-yloxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide is COc1nc(N2CCC(OC(C)C)CC2)nc(OC)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[4,6-dimethoxy-2-(4-propan-2-yloxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide?
The InChIKey is GGVSCRINGSNJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-13(2)28-14-8-10-24(11-9-14)19-22-17(26-6)16(18(23-19)27-7)21-15(25)12-20(3,4)5/h13-14H,8-12H2,1-7H3,(H,21,25).
What are the key properties of N-[4,6-dimethoxy-2-(4-propan-2-yloxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide?
N-[4,6-dimethoxy-2-(4-propan-2-yloxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide has a molecular weight of 394.52 g/mol, XLogP of 3.26, 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-propan-2-yloxypiperidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 122191186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).