4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one

C9H15N3O3 — CID 114586456

IUPAC4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCC(C)(C)N)nc[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-9(2,10)4-15-8-6(14-3)7(13)11-5-12-8/h5H,4,10H2,1-3H3,(H,11,12,13)
InChIKeyHXBLAKCHHDJSNB-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.11
Rot. Bonds4

About 4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one

4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 114586456) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one
PubChem CID114586456
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCC(C)(C)N)nc[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-9(2,10)4-15-8-6(14-3)7(13)11-5-12-8/h5H,4,10H2,1-3H3,(H,11,12,13)
InChIKeyHXBLAKCHHDJSNB-UHFFFAOYSA-N
XLogP-0.11
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one (CID 114586456) is 4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one is COc1c(OCC(C)(C)N)nc[nH]c1=O.
What is the InChIKey of 4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is HXBLAKCHHDJSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-9(2,10)4-15-8-6(14-3)7(13)11-5-12-8/h5H,4,10H2,1-3H3,(H,11,12,13).
What are the key properties of 4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one?
4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropoxy)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).