1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol

C9H15N5O3 — CID 106674660

IUPAC1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol
SMILESCOc1c(NN)ncnc1N1CC(O)C(O)C1
InChIInChI=1S/C9H15N5O3/c1-17-7-8(13-10)11-4-12-9(7)14-2-5(15)6(16)3-14/h4-6,15-16H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyTWPKDZHKIGNLJZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.69
Rot. Bonds3

About 1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol

1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol (PubChem CID 106674660) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol
PubChem CID106674660
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol
SMILESCOc1c(NN)ncnc1N1CC(O)C(O)C1
InChIInChI=1S/C9H15N5O3/c1-17-7-8(13-10)11-4-12-9(7)14-2-5(15)6(16)3-14/h4-6,15-16H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyTWPKDZHKIGNLJZ-UHFFFAOYSA-N
XLogP-1.69
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine
CID 102729224
5-methoxy-6-(3-methoxypiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 102971606
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-yl]hydrazine
CID 104961881
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674538
1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198767
5-methoxy-6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590175
1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114683932
1-[1-[6-(ethylamino)-5-methoxypyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839920
6-(2,4-dimethylpiperazin-1-yl)-5-methoxy-N-methylpyrimidin-4-amine
CID 114088565
6-hydrazinyl-5-methoxy-N-(3-methylcyclopentyl)pyrimidin-4-amine
CID 114542288
N-[2-(6-hydrazinyl-5-methoxypyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine
CID 102741485
3-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358434

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol (CID 106674660) is 1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol is COc1c(NN)ncnc1N1CC(O)C(O)C1.
What is the InChIKey of 1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol?
The InChIKey is TWPKDZHKIGNLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-17-7-8(13-10)11-4-12-9(7)14-2-5(15)6(16)3-14/h4-6,15-16H,2-3,10H2,1H3,(H,11,12,13).
What are the key properties of 1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol?
1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol has a molecular weight of 241.25 g/mol, XLogP of -1.69, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106674660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).