5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one

C8H13N3O2 — CID 103240448

IUPAC5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
SMILESCC(C)(C)Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H13N3O2/c1-8(2,3)13-7-5(9)6(12)10-4-11-7/h4H,9H2,1-3H3,(H,10,11,12)
InChIKeyRLJRCSYHQFMIFG-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.53
Rot. Bonds1

About 5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one

5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one (PubChem CID 103240448) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
PubChem CID103240448
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
SMILESCC(C)(C)Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H13N3O2/c1-8(2,3)13-7-5(9)6(12)10-4-11-7/h4H,9H2,1-3H3,(H,10,11,12)
InChIKeyRLJRCSYHQFMIFG-UHFFFAOYSA-N
XLogP0.53
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(2-methylprop-1-enoxy)-1H-pyrimidin-6-one
CID 167252825
5-Amino-6-ethoxypyrimidin-4-ol
CID 19152432
5-Amino-6-(propan-2-yloxy)pyrimidin-4-ol
CID 19152493
5-Amino-6-methoxypyrimidin-4-OL
CID 80139245
5-Amino-6-propoxypyrimidin-4-ol
CID 80141728
4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240458
5-amino-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240479
5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240580
5-amino-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240605
5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240661
5-amino-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 103240671
5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
CID 103240699

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one (CID 103240448) is 5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one is CC(C)(C)Oc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one?
The InChIKey is RLJRCSYHQFMIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,3)13-7-5(9)6(12)10-4-11-7/h4H,9H2,1-3H3,(H,10,11,12).
What are the key properties of 5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one?
5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103240448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).