4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one

C8H13N3O2 — CID 114586452

IUPAC4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one
SMILESCC(C)(N)COc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O2/c1-8(2,9)4-13-7-3-6(12)10-5-11-7/h3,5H,4,9H2,1-2H3,(H,10,11,12)
InChIKeyBNMZOBCJNRDXJH-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.11
Rot. Bonds3

About 4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one

4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one (PubChem CID 114586452) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one
PubChem CID114586452
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one
SMILESCC(C)(N)COc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O2/c1-8(2,9)4-13-7-3-6(12)10-5-11-7/h3,5H,4,9H2,1-2H3,(H,10,11,12)
InChIKeyBNMZOBCJNRDXJH-UHFFFAOYSA-N
XLogP-0.11
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one (CID 114586452) is 4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one is CC(C)(N)COc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one?
The InChIKey is BNMZOBCJNRDXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,9)4-13-7-3-6(12)10-5-11-7/h3,5H,4,9H2,1-2H3,(H,10,11,12).
What are the key properties of 4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one?
4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).