5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid

C17H24N4O4 — CID 175517285

IUPAC5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid
SMILESCC(C(=O)OC(C)(C)C)N1CC=C(c2ncc(N)c(C(=O)O)n2)CC1
InChIInChI=1S/C17H24N4O4/c1-10(16(24)25-17(2,3)4)21-7-5-11(6-8-21)14-19-9-12(18)13(20-14)15(22)23/h5,9-10H,6-8,18H2,1-4H3,(H,22,23)
InChIKeyOBSZIYDIMIBPCL-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.58
Rot. Bonds4

About 5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid

5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid (PubChem CID 175517285) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid
PubChem CID175517285
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid
SMILESCC(C(=O)OC(C)(C)C)N1CC=C(c2ncc(N)c(C(=O)O)n2)CC1
InChIInChI=1S/C17H24N4O4/c1-10(16(24)25-17(2,3)4)21-7-5-11(6-8-21)14-19-9-12(18)13(20-14)15(22)23/h5,9-10H,6-8,18H2,1-4H3,(H,22,23)
InChIKeyOBSZIYDIMIBPCL-UHFFFAOYSA-N
XLogP1.58
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid?
The IUPAC name of 5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid (CID 175517285) is 5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid is CC(C(=O)OC(C)(C)C)N1CC=C(c2ncc(N)c(C(=O)O)n2)CC1.
What is the InChIKey of 5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid?
The InChIKey is OBSZIYDIMIBPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-10(16(24)25-17(2,3)4)21-7-5-11(6-8-21)14-19-9-12(18)13(20-14)15(22)23/h5,9-10H,6-8,18H2,1-4H3,(H,22,23).
What are the key properties of 5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid?
5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 175517285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).