1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine

C8H13N5O — CID 139271162

IUPAC1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILES[H]/N=c1\cc(N2CCCC2)nc(N)n1O
InChIInChI=1S/C8H13N5O/c9-6-5-7(11-8(10)13(6)14)12-3-1-2-4-12/h5,9,14H,1-4H2,(H2,10,11)/b9-6+
InChIKeyMRHDBVYEGZPCRQ-RMKNXTFCSA-N
MW195.23 g/mol
LogP-0.22
Rot. Bonds1

About 1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine

1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 139271162) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID139271162
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILES[H]/N=c1\cc(N2CCCC2)nc(N)n1O
InChIInChI=1S/C8H13N5O/c9-6-5-7(11-8(10)13(6)14)12-3-1-2-4-12/h5,9,14H,1-4H2,(H2,10,11)/b9-6+
InChIKeyMRHDBVYEGZPCRQ-RMKNXTFCSA-N
XLogP-0.22
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 139271162) is 1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine is [H]/N=c1\cc(N2CCCC2)nc(N)n1O.
What is the InChIKey of 1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is MRHDBVYEGZPCRQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H13N5O/c9-6-5-7(11-8(10)13(6)14)12-3-1-2-4-12/h5,9,14H,1-4H2,(H2,10,11)/b9-6+.
What are the key properties of 1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine?
1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 195.23 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-imino-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 139271162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).