5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one

C7H11N3O2 — CID 19152493

IUPAC5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCC(C)Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H11N3O2/c1-4(2)12-7-5(8)6(11)9-3-10-7/h3-4H,8H2,1-2H3,(H,9,10,11)
InChIKeyZNFJQEPKHUMSCN-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.14
Rot. Bonds2

About 5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one

5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one (PubChem CID 19152493) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one
PubChem CID19152493
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one
SMILESCC(C)Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H11N3O2/c1-4(2)12-7-5(8)6(11)9-3-10-7/h3-4H,8H2,1-2H3,(H,9,10,11)
InChIKeyZNFJQEPKHUMSCN-UHFFFAOYSA-N
XLogP0.14
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one (CID 19152493) is 5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one is CC(C)Oc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is ZNFJQEPKHUMSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4(2)12-7-5(8)6(11)9-3-10-7/h3-4H,8H2,1-2H3,(H,9,10,11).
What are the key properties of 5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one?
5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-propan-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 19152493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).