N-[4,6-dimethoxy-2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide

C16H28N4O4 — CID 122191185

IUPACN-[4,6-dimethoxy-2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide
SMILESCOCCN(C)c1nc(OC)c(NC(=O)CC(C)(C)C)c(OC)n1
InChIInChI=1S/C16H28N4O4/c1-16(2,3)10-11(21)17-12-13(23-6)18-15(19-14(12)24-7)20(4)8-9-22-5/h8-10H2,1-7H3,(H,17,21)
InChIKeyRZADTOGEDSSOIX-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.95
Rot. Bonds8

About N-[4,6-dimethoxy-2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide

N-[4,6-dimethoxy-2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide (PubChem CID 122191185) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[4,6-dimethoxy-2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4,6-dimethoxy-2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide
PubChem CID122191185
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC NameN-[4,6-dimethoxy-2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide
SMILESCOCCN(C)c1nc(OC)c(NC(=O)CC(C)(C)C)c(OC)n1
InChIInChI=1S/C16H28N4O4/c1-16(2,3)10-11(21)17-12-13(23-6)18-15(19-14(12)24-7)20(4)8-9-22-5/h8-10H2,1-7H3,(H,17,21)
InChIKeyRZADTOGEDSSOIX-UHFFFAOYSA-N
XLogP1.95
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.95
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-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4,6-dimethoxy-2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide (CID 122191185) is N-[4,6-dimethoxy-2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4,6-dimethoxy-2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4,6-dimethoxy-2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide is COCCN(C)c1nc(OC)c(NC(=O)CC(C)(C)C)c(OC)n1.
What is the InChIKey of N-[4,6-dimethoxy-2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide?
The InChIKey is RZADTOGEDSSOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-16(2,3)10-11(21)17-12-13(23-6)18-15(19-14(12)24-7)20(4)8-9-22-5/h8-10H2,1-7H3,(H,17,21).
What are the key properties of N-[4,6-dimethoxy-2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide?
N-[4,6-dimethoxy-2-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide has a molecular weight of 340.42 g/mol, XLogP of 1.95, 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-[2-methoxyethyl(methyl)amino]pyrimidin-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 122191185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).