N-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide

C17H26F2N4O3 — CID 122191180

IUPACN-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide
SMILESCOc1nc(N2CCC(F)(F)CC2)nc(OC)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C17H26F2N4O3/c1-16(2,3)10-11(24)20-12-13(25-4)21-15(22-14(12)26-5)23-8-6-17(18,19)7-9-23/h6-10H2,1-5H3,(H,20,24)
InChIKeyUDMSEIUBTPBILD-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide

N-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide (PubChem CID 122191180) has the molecular formula C17H26F2N4O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide
PubChem CID122191180
Molecular FormulaC17H26F2N4O3
Molecular Weight372.42 g/mol
Exact Mass372.20
IUPAC NameN-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide
SMILESCOc1nc(N2CCC(F)(F)CC2)nc(OC)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C17H26F2N4O3/c1-16(2,3)10-11(24)20-12-13(25-4)21-15(22-14(12)26-5)23-8-6-17(18,19)7-9-23/h6-10H2,1-5H3,(H,20,24)
InChIKeyUDMSEIUBTPBILD-UHFFFAOYSA-N
XLogP3.10
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide (CID 122191180) is N-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide is COc1nc(N2CCC(F)(F)CC2)nc(OC)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide?
The InChIKey is UDMSEIUBTPBILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N4O3/c1-16(2,3)10-11(24)20-12-13(25-4)21-15(22-14(12)26-5)23-8-6-17(18,19)7-9-23/h6-10H2,1-5H3,(H,20,24).
What are the key properties of N-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide?
N-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide has a molecular weight of 372.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-difluoropiperidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 122191180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).