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

C8H9N3O2 — CID 174496727

IUPAC6-amino-1H-pyrimidin-2-one;furan
SMILESNc1ccnc(=O)[nH]1.c1ccoc1
InChIInChI=1S/C4H5N3O.C4H4O/c5-3-1-2-6-4(8)7-3;1-2-4-5-3-1/h1-2H,(H3,5,6,7,8);1-4H
InChIKeyOYPGJXVRZRHFQP-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.63
Rot. Bonds

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

6-amino-1H-pyrimidin-2-one;furan (PubChem CID 174496727) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-amino-1H-pyrimidin-2-one;furan.

Molecular Properties

Compound Name6-amino-1H-pyrimidin-2-one;furan
PubChem CID174496727
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name6-amino-1H-pyrimidin-2-one;furan
SMILESNc1ccnc(=O)[nH]1.c1ccoc1
InChIInChI=1S/C4H5N3O.C4H4O/c5-3-1-2-6-4(8)7-3;1-2-4-5-3-1/h1-2H,(H3,5,6,7,8);1-4H
InChIKeyOYPGJXVRZRHFQP-UHFFFAOYSA-N
XLogP0.63
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.63
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;furan?
The IUPAC name of 6-amino-1H-pyrimidin-2-one;furan (CID 174496727) is 6-amino-1H-pyrimidin-2-one;furan.
What is the SMILES notation for 6-amino-1H-pyrimidin-2-one;furan?
The canonical SMILES for 6-amino-1H-pyrimidin-2-one;furan is Nc1ccnc(=O)[nH]1.c1ccoc1.
What is the InChIKey of 6-amino-1H-pyrimidin-2-one;furan?
The InChIKey is OYPGJXVRZRHFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.C4H4O/c5-3-1-2-6-4(8)7-3;1-2-4-5-3-1/h1-2H,(H3,5,6,7,8);1-4H.
What are the key properties of 6-amino-1H-pyrimidin-2-one;furan?
6-amino-1H-pyrimidin-2-one;furan has a molecular weight of 179.18 g/mol, XLogP of 0.63, 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;furan is sourced from PubChem (CID 174496727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).