6-amino-1H-pyrimidin-2-one;oxolane

C8H13N3O2 — CID 145083390

IUPAC6-amino-1H-pyrimidin-2-one;oxolane
SMILESC1CCOC1.Nc1ccnc(=O)[nH]1
InChIInChI=1S/C4H5N3O.C4H8O/c5-3-1-2-6-4(8)7-3;1-2-4-5-3-1/h1-2H,(H3,5,6,7,8);1-4H2
InChIKeyOEWZTYLPNJFWKF-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.15
Rot. Bonds

About 6-amino-1H-pyrimidin-2-one;oxolane

6-amino-1H-pyrimidin-2-one;oxolane (PubChem CID 145083390) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 6-amino-1H-pyrimidin-2-one;oxolane.

Molecular Properties

Compound Name6-amino-1H-pyrimidin-2-one;oxolane
PubChem CID145083390
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name6-amino-1H-pyrimidin-2-one;oxolane
SMILESC1CCOC1.Nc1ccnc(=O)[nH]1
InChIInChI=1S/C4H5N3O.C4H8O/c5-3-1-2-6-4(8)7-3;1-2-4-5-3-1/h1-2H,(H3,5,6,7,8);1-4H2
InChIKeyOEWZTYLPNJFWKF-UHFFFAOYSA-N
XLogP0.15
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-pyrimidin-2-one;oxolane?
The IUPAC name of 6-amino-1H-pyrimidin-2-one;oxolane (CID 145083390) is 6-amino-1H-pyrimidin-2-one;oxolane.
What is the SMILES notation for 6-amino-1H-pyrimidin-2-one;oxolane?
The canonical SMILES for 6-amino-1H-pyrimidin-2-one;oxolane is C1CCOC1.Nc1ccnc(=O)[nH]1.
What is the InChIKey of 6-amino-1H-pyrimidin-2-one;oxolane?
The InChIKey is OEWZTYLPNJFWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.C4H8O/c5-3-1-2-6-4(8)7-3;1-2-4-5-3-1/h1-2H,(H3,5,6,7,8);1-4H2.
What are the key properties of 6-amino-1H-pyrimidin-2-one;oxolane?
6-amino-1H-pyrimidin-2-one;oxolane has a molecular weight of 183.21 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-pyrimidin-2-one;oxolane is sourced from PubChem (CID 145083390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).