2-amino-2,5-dihydro-1H-pyrimidin-6-one

C4H7N3O — CID 90700648

IUPAC2-amino-2,5-dihydro-1H-pyrimidin-6-one
SMILESNC1N=CCC(=O)N1
InChIInChI=1S/C4H7N3O/c5-4-6-2-1-3(8)7-4/h2,4H,1,5H2,(H,7,8)
InChIKeyPCYXKQQKMSAIOV-UHFFFAOYSA-N
MW113.12 g/mol
LogP-1.18
Rot. Bonds

About 2-amino-2,5-dihydro-1H-pyrimidin-6-one

2-amino-2,5-dihydro-1H-pyrimidin-6-one (PubChem CID 90700648) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-amino-2,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-2,5-dihydro-1H-pyrimidin-6-one
PubChem CID90700648
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name2-amino-2,5-dihydro-1H-pyrimidin-6-one
SMILESNC1N=CCC(=O)N1
InChIInChI=1S/C4H7N3O/c5-4-6-2-1-3(8)7-4/h2,4H,1,5H2,(H,7,8)
InChIKeyPCYXKQQKMSAIOV-UHFFFAOYSA-N
XLogP-1.18
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-2,5-dihydro-1H-pyrimidin-6-one (CID 90700648) is 2-amino-2,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-2,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-2,5-dihydro-1H-pyrimidin-6-one is NC1N=CCC(=O)N1.
What is the InChIKey of 2-amino-2,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is PCYXKQQKMSAIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c5-4-6-2-1-3(8)7-4/h2,4H,1,5H2,(H,7,8).
What are the key properties of 2-amino-2,5-dihydro-1H-pyrimidin-6-one?
2-amino-2,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 113.12 g/mol, XLogP of -1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 90700648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).