5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one

C9H14N4O2 — CID 136706902

IUPAC5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C9H14N4O2/c1-15-6-2-3-13(4-6)8-7(10)9(14)12-5-11-8/h5-6H,2-4,10H2,1H3,(H,11,12,14)
InChIKeyUCCQRKAFDKKESK-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.42
Rot. Bonds2

About 5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136706902) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136706902
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C9H14N4O2/c1-15-6-2-3-13(4-6)8-7(10)9(14)12-5-11-8/h5-6H,2-4,10H2,1H3,(H,11,12,14)
InChIKeyUCCQRKAFDKKESK-UHFFFAOYSA-N
XLogP-0.42
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136706902) is 5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one is COC1CCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is UCCQRKAFDKKESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-15-6-2-3-13(4-6)8-7(10)9(14)12-5-11-8/h5-6H,2-4,10H2,1H3,(H,11,12,14).
What are the key properties of 5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136706902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).