1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol

C9H12N4O — CID 123698785

IUPAC1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol
SMILES[H]/N=C/c1cc(N2CCC(O)C2)ncn1
InChIInChI=1S/C9H12N4O/c10-4-7-3-9(12-6-11-7)13-2-1-8(14)5-13/h3-4,6,8,10,14H,1-2,5H2/b10-4+
InChIKeyRTFKYYCZQWIEFV-ONNFQVAWSA-N
MW192.22 g/mol
LogP0.05
Rot. Bonds2

About 1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol

1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 123698785) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID123698785
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol
SMILES[H]/N=C/c1cc(N2CCC(O)C2)ncn1
InChIInChI=1S/C9H12N4O/c10-4-7-3-9(12-6-11-7)13-2-1-8(14)5-13/h3-4,6,8,10,14H,1-2,5H2/b10-4+
InChIKeyRTFKYYCZQWIEFV-ONNFQVAWSA-N
XLogP0.05
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 126848388
4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464424
1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 126848543
1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 126848882
(3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol
CID 168941013
(3R)-1-[6-[2-amino-5-(2-methoxyethoxy)benzenecarboximidoyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 144697096
(3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol
CID 94895351
1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
(3R)-1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 144694465
(3R)-1-[6-[2-amino-4-fluoro-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 130414241
(3R)-1-[6-(2-amino-4-fluoro-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 144694583
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200

Frequently Asked Questions

What is the IUPAC name of 1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol (CID 123698785) is 1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol is [H]/N=C/c1cc(N2CCC(O)C2)ncn1.
What is the InChIKey of 1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is RTFKYYCZQWIEFV-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H12N4O/c10-4-7-3-9(12-6-11-7)13-2-1-8(14)5-13/h3-4,6,8,10,14H,1-2,5H2/b10-4+.
What are the key properties of 1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol?
1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 192.22 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 123698785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).