[5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine

C10H16BrN5O — CID 80917706

IUPAC[5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine
SMILESCOCC1CCN(c2nc(NN)ncc2Br)C1
InChIInChI=1S/C10H16BrN5O/c1-17-6-7-2-3-16(5-7)9-8(11)4-13-10(14-9)15-12/h4,7H,2-3,5-6,12H2,1H3,(H,13,14,15)
InChIKeyFVKUOEOAKNVBIF-UHFFFAOYSA-N
MW302.18 g/mol
LogP1.00
Rot. Bonds4

About [5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine

[5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine (PubChem CID 80917706) has the molecular formula C10H16BrN5O and a molecular weight of 302.18 g/mol. Its IUPAC name is [5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine
PubChem CID80917706
Molecular FormulaC10H16BrN5O
Molecular Weight302.18 g/mol
Exact Mass301.05
IUPAC Name[5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine
SMILESCOCC1CCN(c2nc(NN)ncc2Br)C1
InChIInChI=1S/C10H16BrN5O/c1-17-6-7-2-3-16(5-7)9-8(11)4-13-10(14-9)15-12/h4,7H,2-3,5-6,12H2,1H3,(H,13,14,15)
InChIKeyFVKUOEOAKNVBIF-UHFFFAOYSA-N
XLogP1.00
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80844726
[5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80896698
[5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80928074
[5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine
CID 80925546
[5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917725
[5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80928369
4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
CID 80844727
4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 39782435
N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine
CID 103328306
[5-methyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80899468
[6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80918094
5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80914649

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine (CID 80917706) is [5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine is COCC1CCN(c2nc(NN)ncc2Br)C1.
What is the InChIKey of [5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine?
The InChIKey is FVKUOEOAKNVBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN5O/c1-17-6-7-2-3-16(5-7)9-8(11)4-13-10(14-9)15-12/h4,7H,2-3,5-6,12H2,1H3,(H,13,14,15).
What are the key properties of [5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine?
[5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine has a molecular weight of 302.18 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80917706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).