5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one

C9H14N4O3 — CID 136675565

IUPAC5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCC2(O)CCOC2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O3/c10-6-7(12-5-13-8(6)14)11-3-9(15)1-2-16-4-9/h5,15H,1-4,10H2,(H2,11,12,13,14)
InChIKeyUGAZHKVEPDTODA-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.08
Rot. Bonds3

About 5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136675565) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136675565
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCC2(O)CCOC2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O3/c10-6-7(12-5-13-8(6)14)11-3-9(15)1-2-16-4-9/h5,15H,1-4,10H2,(H2,11,12,13,14)
InChIKeyUGAZHKVEPDTODA-UHFFFAOYSA-N
XLogP-1.08
TPSA113.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136675565) is 5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one is Nc1c(NCC2(O)CCOC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is UGAZHKVEPDTODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c10-6-7(12-5-13-8(6)14)11-3-9(15)1-2-16-4-9/h5,15H,1-4,10H2,(H2,11,12,13,14).
What are the key properties of 5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 226.24 g/mol, XLogP of -1.08, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-hydroxyoxolan-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136675565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).